| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.7 | Very low | 72.4 | Confident | 242 Ų | 242 | 100.5 Ų | 100.5 | 100% | 1.192 | 54% | 0.543 | S | S | * | . | 0 | 104.9 | 0 | -69.5 | 177.4 | 176.5 | 0 | 0 | 106.2 | S3 | M1-S3 PolarHBondContact O-N 3.27Š| |||
| 2 | A | 46 | Very low | 74 | Confident | 102 Ų | 102 | 99.6 Ų | 99.6 | 84% | 0.843 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 121.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||
| 3 | S | 52.5 | Low | 75.3 | Confident | 103 Ų | 103 | 95.7 Ų | 95.7 | 72% | 0.72 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 132.5 | 171.9 | 35 | 0 | 0 | 0 | 0 | 108.3 | M1 Q5 | M1-S3 PolarHBondContact O-N 3.27Å; S3-Q5 PolarHBondContact O-N 3.11Å |
| 4 | P | 58.5 | Low | 76.5 | Confident | 93 Ų | 93 | 89.4 Ų | 89.4 | 60% | 0.604 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 131.7 | 178.4 | 19.5 | -30.2 | 0 | 0 | 0 | 109.1 | M6 | P4-M6 PolarHBondContact O-N 3.13Å; P4-M6 VanDerWaalsContact O-N 3.15Å |
| 5 | Q | 69.2 | Low | 77.5 | Confident | 140 Ų | 140 | 86.9 Ų | 86.9 | 65% | 0.654 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 121.5 | 179.8 | -76.6 | 179.9 | -18.3 | 0 | 0 | 108.7 | S3 T334 | S3-Q5 PolarHBondContact O-N 3.11Å; Q5-T334 HydrophobicContact CB-CG2 3.97Å |
| 6 | M | 80.8 | Confident | 78.4 | Confident | 108 Ų | 108 | 81.5 Ų | 81.5 | 53% | 0.532 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 142.6 | -176.4 | -67.3 | -176.6 | -73.5 | 0 | 0 | 110 | P4 I8 T334 | P4-M6 PolarHBondContact O-N 3.13Å; P4-M6 VanDerWaalsContact O-N 3.15Å; M6-I8 HydrophobicContact CB-CG1 4.44Å; M6-I8 PolarHBondContact O-N 3.4Å; M6-I8 VanDerWaalsContact O-N 3.15Å; M6-T334 PolarHBondContact O-OG1 2.95Å |
| 7 | P | 88.1 | Confident | 79.1 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -77.7 | 6.6 | -179.5 | 32.9 | -35.1 | 0 | 0 | 0 | 113.3 | Y295 D331 T334 I335 Y338 | P7-Y295 HydrophobicContact CG-CD2 3.46Å; P7-Y295 VanDerWaalsContact CG-CD2 3.46Å; P7-Y295 HydrophobicContact CG-CE2 4.13Å; P7-Y295 HydrophobicContact CG-CG 3.69Å; P7-D331 PolarHBondContact O-N 3.07Å; P7-T334 WeakPolarHBondContact CA-OG1 3.37Å; P7-I335 HydrophobicContact CB-CB 4.14Å; P7-I335 HydrophobicContact CB-CG1 4.07Å; P7-Y338 HydrophobicContact CB-CD1 4.02Å; P7-Y338 HydrophobicContact CB-CD2 4.37Å; P7-Y338 HydrophobicContact CB-CG 3.83Å; P7-Y338 HydrophobicContact CG-CD1 3.79Å; P7-Y338 HydrophobicContact CG-CD2 4Å; P7-Y338 HydrophobicContact CG-CE1 4.03Å; P7-Y338 HydrophobicContact CG-CE2 4.19Å; P7-Y338 HydrophobicContact CG-CG 3.79Å |
| 8 | I | 91 | Very high | 79.6 | Confident | 12 Ų | 12 | 80.7 Ų | 80.7 | 6% | 0.062 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.4 | -173.3 | 59 | 159.8 | 0 | 0 | 0 | 111.2 | M6 L283 L285 Y295 V328 S329 | M6-I8 HydrophobicContact CB-CG1 4.44Å; M6-I8 PolarHBondContact O-N 3.4Å; M6-I8 VanDerWaalsContact O-N 3.15Å; I8-L283 HydrophobicContact CD1-CD2 4.49Å; I8-L285 HydrophobicContact CG2-CD1 4.4Å; I8-L285 HydrophobicContact CG2-CD2 3.55Å; I8-Y295 HydrophobicContact CD1-CD1 3.99Å; I8-Y295 HydrophobicContact CD1-CE1 3.4Å; I8-Y295 HydrophobicContact CG1-CD1 4.25Å; I8-Y295 HydrophobicContact CG1-CE1 3.84Å; I8-Y295 HydrophobicContact CG2-CD1 4.18Å; I8-V328 HydrophobicContact CB-CG1 3.89Å; I8-V328 HydrophobicContact CD1-CG1 3.65Å; I8-V328 HydrophobicContact CG1-CG1 4.36Å; I8-V328 HydrophobicContact CG2-CG1 4.15Å; I8-S329 CarbonylContact C-O 3.53Å; I8-S329 WeakPolarHBondContact CA-O 3.5Å; I8-S329 WeakPolarHBondContact CB-O 3.46Å |
| 9 | K | 90.1 | Very high | 80.2 | Confident | 104 Ų | 104 | 77.5 Ų | 77.5 | 45% | 0.452 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 116.6 | 164.2 | -71.7 | 177.2 | 177.5 | 156 | 0 | 108.4 | V328 S329 D331 | K9-V328 WeakPolarHBondContact O-CA 3.49Å; K9-S329 PolarHBondContact N-O 3.29Å; K9-S329 PolarHBondContact O-N 3.5Å; K9-D331 WeakPolarHBondContact CE-OD1 3.47Å; K9-D331 WeakPolarHBondContact CE-OD2 3.47Å; K9-D331 HydrophobicContact CG-CB 3.96Å; K9-D331 IonicContact NZ-OD1 2.64Å; K9-D331 PolarHBondContact NZ-OD1 3.22Å; K9-D331 VanDerWaalsContact NZ-OD1 3.13Å |
| 10 | F | 89.7 | Confident | 80.5 | Confident | 96 Ų | 96 | 75.7 Ų | 75.7 | 42% | 0.421 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 127.2 | 174.2 | 176.1 | -98.1 | 0 | 0 | 0 | 109 | I299 L326 V328 | F10-I299 HydrophobicContact CD2-CB 4.34Å; F10-I299 HydrophobicContact CD2-CG2 4.39Å; F10-I299 HydrophobicContact CE2-CB 3.96Å; F10-I299 HydrophobicContact CE2-CG2 4.49Å; F10-L326 HydrophobicContact CE1-CD2 4.42Å; F10-L326 HydrophobicContact CE2-CB 4.12Å; F10-L326 HydrophobicContact CE2-CD1 4.18Å; F10-L326 HydrophobicContact CE2-CD2 4.25Å; F10-L326 HydrophobicContact CE2-CG 4.41Å; F10-L326 HydrophobicContact CZ-CB 4.38Å; F10-L326 HydrophobicContact CZ-CD1 4.01Å; F10-L326 HydrophobicContact CZ-CD2 3.65Å; F10-L326 HydrophobicContact CZ-CG 4.22Å; F10-V328 HydrophobicContact CD2-CG2 3.74Å; F10-V328 HydrophobicContact CE2-CG2 4.36Å |
| 11 | Q | 90.4 | Very high | 80.9 | Confident | 105 Ų | 105 | 72.2 Ų | 72.2 | 49% | 0.491 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 127.5 | -178.9 | -175.2 | 175.5 | 3.4 | 0 | 0 | 110.6 | H13 S327 | Q11-H13 PolarHBondContact OE1-CE1 3.2Å; Q11-S327 PolarHBondContact N-O 3.18Å; Q11-S327 PolarHBondContact O-N 3.03Å |
| 12 | E | 91.5 | Very high | 83.1 | Confident | 90 Ų | 90 | 64.1 Ų | 64.1 | 42% | 0.421 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 119.7 | 165 | -179 | 169.7 | 156.6 | 0 | 0 | 108.3 | Q324 L326 | E12-Q324 PolarHBondContact OE2-NE2 2.94Å; E12-L326 HydrophobicContact CB-CD2 3.77Å; E12-L326 HydrophobicContact CG-CD2 3.87Å |
| 13 | H | 90.6 | Very high | 85 | Confident | 49 Ų | 49 | 63.5 Ų | 63.5 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -37.2 | -177.8 | -69.7 | -74 | 0 | 0 | 0 | 112.3 | Q11 M56 Y310 V325 S327 | Q11-H13 PolarHBondContact OE1-CE1 3.2Å; H13-M56 HydrophobicContact CB-CE 3.87Å; H13-Y310 PolarHBondContact CE1-OH 3.19Å; H13-Y310 AromaticContact NE2-CZ 3.96Å; H13-V325 HydrophobicContact CB-CG1 4.45Å; H13-V325 PolarHBondContact N-O 2.82Å; H13-S327 PolarHBondContact CD2-OG 3.49Å; H13-S327 VanDerWaalsContact NE2-CB 3.34Å; H13-S327 WeakPolarHBondContact NE2-CB 3.48Å; H13-S327 PolarHBondContact NE2-OG 3.35Å |
| 14 | L | 91.8 | Very high | 86.7 | Confident | 7 Ų | 7 | 63.3 Ų | 63.3 | 4% | 0.037 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 146.3 | -171.3 | -173.3 | 64.5 | 0 | 0 | 0 | 111.2 | L16 I19 I54 P59 M60 V325 | L14-L16 HydrophobicContact CD2-CD2 4.12Å; L14-I19 HydrophobicContact CD1-CG2 3.88Å; L14-I19 HydrophobicContact CD2-CD1 3.88Å; L14-I54 HydrophobicContact CD2-CG2 4Å; L14-P59 HydrophobicContact CD1-CB 4.1Å; L14-P59 HydrophobicContact CD2-CB 3.78Å; L14-P59 HydrophobicContact CG-CB 4.43Å; L14-M60 HydrophobicContact CD1-CE 4.21Å; L14-V325 HydrophobicContact CB-CB 4.14Å; L14-V325 HydrophobicContact CB-CG2 4.02Å; L14-V325 PolarHBondContact O-N 3.33Å |
| 15 | Q | 91.7 | Very high | 88.1 | Confident | 53 Ų | 53 | 59.1 Ų | 59.1 | 25% | 0.248 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 111.5 | 165.2 | 177.6 | 60.6 | -61.7 | 0 | 0 | 109.1 | V17 S18 K322 G323 Q324 | Q15-V17 HydrophobicContact CG-CB 4.39Å; Q15-V17 PolarHBondContact O-N 3.13Å; Q15-V17 VanDerWaalsContact O-N 3.1Å; Q15-S18 PolarHBondContact O-N 3.18Å; Q15-S18 PolarHBondContact O-OG 3.02Å; Q15-K322 PolarHBondContact OE1-O 3.36Å; Q15-G323 PolarHBondContact OE1-O 3.11Å; Q15-Q324 VanDerWaalsContact OE1-N 3.09Å |
| 16 | L | 92.2 | Very high | 89 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -58.4 | -32 | -174.3 | -68.6 | 175.5 | 0 | 0 | 0 | 113 | L14 S18 I19 I21 I26 L31 I54 V319 G323 V325 | L14-L16 HydrophobicContact CD2-CD2 4.12Å; L16-S18 VanDerWaalsContact C-N 3.3Å; L16-S18 PolarHBondContact O-N 2.99Å; L16-I19 HydrophobicContact CD2-CD1 4.26Å; L16-I19 WeakPolarHBondContact O-CG1 3.18Å; L16-I19 PolarHBondContact O-N 3.28Å; L16-I21 HydrophobicContact CB-CB 4.17Å; L16-I21 HydrophobicContact CB-CG1 4.18Å; L16-I21 VanDerWaalsContact O-CB 3.27Å; L16-I21 WeakPolarHBondContact O-CB 3.29Å; L16-I21 WeakPolarHBondContact O-CG1 3.36Å; L16-I21 PolarHBondContact O-N 3.19Å; L16-I21 VanDerWaalsContact O-N 3.14Å; L16-I26 HydrophobicContact CB-CD1 4.05Å; L16-L31 HydrophobicContact CD1-CD1 3.43Å; L16-L31 VanDerWaalsContact CD1-CD1 3.43Å; L16-I54 HydrophobicContact CD2-CD1 3.29Å; L16-V319 HydrophobicContact CD1-CG1 3.7Å; L16-G323 WeakPolarHBondContact CB-O 3.46Å; L16-G323 WeakPolarHBondContact CG-O 3.34Å; L16-G323 PolarHBondContact N-O 3.05Å; L16-V325 HydrophobicContact CD2-CG2 4.14Å; L16-V325 HydrophobicContact CG-CG2 4.06Å |
| 17 | V | 90.5 | Very high | 89.2 | Confident | 60 Ų | 60 | 48.6 Ų | 48.6 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -66.3 | -31.9 | 177 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | Q15 I19 G20 P23 I26 | Q15-V17 HydrophobicContact CG-CB 4.39Å; Q15-V17 PolarHBondContact O-N 3.13Å; Q15-V17 VanDerWaalsContact O-N 3.1Å; V17-I19 VanDerWaalsContact C-N 3.29Å; V17-I19 PolarHBondContact O-N 3.27Å; V17-G20 PolarHBondContact O-N 3.36Å; V17-G20 VanDerWaalsContact O-N 3.11Å; V17-P23 HydrophobicContact CG1-CG 4.4Å; V17-P23 HydrophobicContact CG2-CG 4.23Å; V17-I26 HydrophobicContact CG2-CD1 3.85Å |
| 18 | S | 88.5 | Confident | 88.8 | Confident | 88 Ų | 88 | 52.8 Ų | 52.8 | 62% | 0.615 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -72.8 | -21.9 | -178.8 | 70.8 | 0 | 0 | 0 | 0 | 113.3 | Q15 L16 G20 | Q15-S18 PolarHBondContact O-N 3.18Å; Q15-S18 PolarHBondContact O-OG 3.02Å; L16-S18 VanDerWaalsContact C-N 3.3Å; L16-S18 PolarHBondContact O-N 2.99Å; S18-G20 VanDerWaalsContact C-N 3.3Å |
| 19 | I | 89.7 | Confident | 88.3 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 11% | 0.108 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -94.5 | 14.9 | 172.1 | 60.7 | 159.5 | 0 | 0 | 0 | 112.6 | L14 L16 V17 I21 I54 M60 P62 R64 | L14-I19 HydrophobicContact CD1-CG2 3.88Å; L14-I19 HydrophobicContact CD2-CD1 3.88Å; L16-I19 HydrophobicContact CD2-CD1 4.26Å; L16-I19 WeakPolarHBondContact O-CG1 3.18Å; L16-I19 PolarHBondContact O-N 3.28Å; V17-I19 VanDerWaalsContact C-N 3.29Å; V17-I19 PolarHBondContact O-N 3.27Å; I19-I21 HydrophobicContact CD1-CG1 4.4Å; I19-I21 HydrophobicContact CG1-CG1 4.29Å; I19-I54 HydrophobicContact CD1-CD1 3.59Å; I19-I54 HydrophobicContact CD1-CG1 3.78Å; I19-I54 HydrophobicContact CD1-CG2 4.31Å; I19-M60 HydrophobicContact CG2-SD 4.26Å; I19-P62 HydrophobicContact CD1-CB 4.41Å; I19-P62 HydrophobicContact CD1-CG 4.44Å; I19-R64 PolarHBondContact O-NH2 3.45Å |
| 20 | G | 86.1 | Confident | 88.2 | Confident | 41 Ų | 41 | 52.7 Ų | 52.7 | 42% | 0.423 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 27.6 | 172 | 0 | 0 | 0 | 0 | 0 | 115.1 | V17 S18 R64 | V17-G20 PolarHBondContact O-N 3.36Å; V17-G20 VanDerWaalsContact O-N 3.11Å; S18-G20 VanDerWaalsContact C-N 3.3Å; G20-R64 PolarHBondContact O-NH2 2.9Å |
| 21 | I | 89 | Confident | 88.3 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | trans | -83.7 | 127 | 167.7 | -57.5 | -62.6 | 0 | 0 | 0 | 109.4 | L16 I19 I26 V41 V52 I54 | L16-I21 HydrophobicContact CB-CB 4.17Å; L16-I21 HydrophobicContact CB-CG1 4.18Å; L16-I21 VanDerWaalsContact O-CB 3.27Å; L16-I21 WeakPolarHBondContact O-CB 3.29Å; L16-I21 WeakPolarHBondContact O-CG1 3.36Å; L16-I21 PolarHBondContact O-N 3.19Å; L16-I21 VanDerWaalsContact O-N 3.14Å; I19-I21 HydrophobicContact CD1-CG1 4.4Å; I19-I21 HydrophobicContact CG1-CG1 4.29Å; I21-I26 HydrophobicContact CG2-CD1 4.11Å; I21-I26 HydrophobicContact CG2-CG1 3.79Å; I21-V41 HydrophobicContact CD1-CB 4.37Å; I21-V41 HydrophobicContact CD1-CG2 4.34Å; I21-V41 HydrophobicContact CG2-CG1 3.91Å; I21-V52 HydrophobicContact CD1-CB 3.79Å; I21-V52 HydrophobicContact CD1-CG1 3.62Å; I21-V52 HydrophobicContact CD1-CG2 3.98Å; I21-I54 HydrophobicContact CG1-CD1 4.48Å | ||
| 22 | Q | 87.5 | Confident | 88.3 | Confident | 71 Ų | 71 | 44.6 Ų | 44.6 | 33% | 0.332 | 27% | 0.27 | S | S | . | . | trans | -63.3 | 133.8 | 176 | -74.7 | 179 | 15.6 | 0 | 0 | 111.9 | S24 S25 E43 | Q22-S24 PolarHBondContact O-N 2.91Å; Q22-S24 VanDerWaalsContact O-N 3.13Å; Q22-S25 WeakPolarHBondContact O-CB 3.15Å; Q22-S25 PolarHBondContact O-N 2.82Å; Q22-E43 VanDerWaalsContact CB-OE1 3.32Å; Q22-E43 WeakPolarHBondContact CB-OE1 3.34Å; Q22-E43 WeakPolarHBondContact CG-OE1 3.38Å; Q22-E43 PolarHBondContact N-OE1 3.36Å | ||
| 23 | P | 86.5 | Confident | 88.3 | Confident | 90 Ų | 90 | 40.6 Ų | 40.6 | 58% | 0.584 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -54.5 | -33 | 177.6 | -28.8 | 35.3 | 0 | 0 | 0 | 114.7 | V17 S25 I26 | V17-P23 HydrophobicContact CG1-CG 4.4Å; V17-P23 HydrophobicContact CG2-CG 4.23Å; P23-S25 PolarHBondContact O-N 3.07Å; P23-I26 PolarHBondContact O-N 3.31Å |
| 24 | S | 86.9 | Confident | 88.3 | Confident | 98 Ų | 98 | 39.9 Ų | 39.9 | 69% | 0.685 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -65.1 | -22.5 | 175.9 | 51 | 0 | 0 | 0 | 0 | 113.7 | Q22 | Q22-S24 PolarHBondContact O-N 2.91Å; Q22-S24 VanDerWaalsContact O-N 3.13Å |
| 25 | S | 87.9 | Confident | 88.3 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 4% | 0.035 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -91.7 | 0.7 | 179.5 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | Q22 P23 G27 T30 V41 E43 | Q22-S25 WeakPolarHBondContact O-CB 3.15Å; Q22-S25 PolarHBondContact O-N 2.82Å; P23-S25 PolarHBondContact O-N 3.07Å; S25-G27 PolarHBondContact O-N 3.22Å; S25-T30 VanDerWaalsContact C-OG1 3.24Å; S25-T30 VanDerWaalsContact O-CB 3.27Å; S25-T30 WeakPolarHBondContact O-CB 3.33Å; S25-T30 PolarHBondContact O-OG1 3.34Å; S25-V41 WeakPolarHBondContact O-CG1 3.09Å; S25-E43 WeakPolarHBondContact OG-CA 3.42Å |
| 26 | I | 88.4 | Confident | 88.2 | Confident | 13 Ų | 13 | 38 Ų | 38 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | trans | -97.9 | 91.3 | 178.7 | -59.4 | 169.9 | 0 | 0 | 0 | 108.6 | L16 V17 I21 P23 F305 | L16-I26 HydrophobicContact CB-CD1 4.05Å; V17-I26 HydrophobicContact CG2-CD1 3.85Å; I21-I26 HydrophobicContact CG2-CD1 4.11Å; I21-I26 HydrophobicContact CG2-CG1 3.79Å; P23-I26 PolarHBondContact O-N 3.31Å; I26-F305 HydrophobicContact CG2-CE1 3.93Å; I26-F305 HydrophobicContact CG2-CZ 4.09Å | ||
| 27 | G | 85.6 | Confident | 88.2 | Confident | 15 Ų | 15 | 40.9 Ų | 40.9 | 16% | 0.155 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -166.5 | 169.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S25 S29 T30 L31 F305 | S25-G27 PolarHBondContact O-N 3.22Å; G27-S29 PolarHBondContact O-N 3.23Å; G27-T30 PolarHBondContact N-OG1 3.39Å; G27-T30 PolarHBondContact O-N 3.45Å; G27-T30 VanDerWaalsContact O-N 3.12Å; G27-T30 PolarHBondContact O-OG1 2.95Å; G27-L31 PolarHBondContact O-N 3.27Å; G27-F305 VanDerWaalsContact C-CE2 3.41Å; G27-F305 WeakPolarHBondContact O-CE2 3.44Å |
| 28 | F | 79.9 | Confident | 88.3 | Confident | 88 Ų | 88 | 38.6 Ų | 38.6 | 39% | 0.386 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -32.1 | -175.4 | -179.6 | -92.8 | 0 | 0 | 0 | 113.8 | I155 F305 | F28-I155 HydrophobicContact CE1-CG2 4.5Å; F28-I155 HydrophobicContact CE2-CB 4.41Å; F28-I155 HydrophobicContact CE2-CG2 4.34Å; F28-I155 HydrophobicContact CZ-CB 4.14Å; F28-I155 HydrophobicContact CZ-CG2 3.91Å; F28-F305 HydrophobicContact CB-CD2 4.23Å |
| 29 | S | 80.5 | Confident | 88.5 | Confident | 88 Ų | 88 | 34.5 Ų | 34.5 | 62% | 0.615 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -21.1 | 180 | 51.5 | 0 | 0 | 0 | 0 | 113.7 | G27 R42 | G27-S29 PolarHBondContact O-N 3.23Å; S29-R42 PolarHBondContact O-NH2 3.35Å |
| 30 | T | 86.8 | Confident | 88.6 | Confident | 26 Ų | 26 | 33.5 Ų | 33.5 | 16% | 0.16 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -26 | -168.7 | 48.3 | 0 | 0 | 0 | 0 | 113.3 | S25 G27 R42 | S25-T30 VanDerWaalsContact C-OG1 3.24Å; S25-T30 VanDerWaalsContact O-CB 3.27Å; S25-T30 WeakPolarHBondContact O-CB 3.33Å; S25-T30 PolarHBondContact O-OG1 3.34Å; G27-T30 PolarHBondContact N-OG1 3.39Å; G27-T30 PolarHBondContact O-N 3.45Å; G27-T30 VanDerWaalsContact O-N 3.12Å; G27-T30 PolarHBondContact O-OG1 2.95Å; T30-R42 WeakPolarHBondContact CB-O 3.5Å; T30-R42 PolarHBondContact O-N 3.01Å |
| 31 | L | 91.8 | Very high | 88.8 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 130.5 | -176.4 | -174.6 | 157 | 0 | 0 | 0 | 111.9 | L16 G27 I39 C40 V41 F305 V306 V319 | L16-L31 HydrophobicContact CD1-CD1 3.43Å; L16-L31 VanDerWaalsContact CD1-CD1 3.43Å; G27-L31 PolarHBondContact O-N 3.27Å; L31-I39 HydrophobicContact CD1-CG2 4Å; L31-I39 HydrophobicContact CD2-CG2 4.02Å; L31-I39 HydrophobicContact CG-CG2 3.96Å; L31-C40 CarbonylContact C-O 3.56Å; L31-C40 WeakPolarHBondContact CA-O 3.46Å; L31-V41 HydrophobicContact CD1-CG2 3.76Å; L31-V41 HydrophobicContact CG-CG2 3.97Å; L31-F305 HydrophobicContact CB-CE2 4.09Å; L31-F305 HydrophobicContact CB-CZ 4.11Å; L31-F305 HydrophobicContact CD1-CZ 4.27Å; L31-F305 HydrophobicContact CD2-CE2 4.02Å; L31-F305 HydrophobicContact CD2-CZ 4.08Å; L31-F305 HydrophobicContact CG-CZ 4.39Å; L31-V306 HydrophobicContact CD2-CG1 3.54Å; L31-V319 HydrophobicContact CD1-CG1 4.19Å; L31-V319 HydrophobicContact CD2-CB 4.46Å; L31-V319 HydrophobicContact CD2-CG2 4.37Å |
| 32 | T | 90.9 | Very high | 88.9 | Confident | 27 Ų | 27 | 34.5 Ų | 34.5 | 17% | 0.166 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 147.3 | 176.4 | 62.6 | 0 | 0 | 0 | 0 | 111.4 | C40 I72 I73 | T32-C40 PolarHBondContact N-O 3.4Å; T32-C40 PolarHBondContact O-N 2.72Å; T32-I72 WeakPolarHBondContact CG2-O 3.03Å; T32-I72 PolarHBondContact OG1-O 3.44Å; T32-I73 HydrophobicContact CG2-CG2 3.98Å |
| 33 | M | 91.9 | Very high | 88.8 | Confident | 6 Ų | 6 | 31.4 Ų | 31.4 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 103.3 | 179.8 | -175.7 | -179.4 | 72.5 | 0 | 0 | 108.5 | S35 I39 V306 A308 I317 V319 | M33-S35 WeakPolarHBondContact CG-O 3.38Å; M33-I39 HydrophobicContact CG-CG1 4.11Å; M33-I39 HydrophobicContact SD-CD1 4.34Å; M33-I39 HydrophobicContact SD-CG1 4.03Å; M33-V306 HydrophobicContact CB-CG1 4.28Å; M33-V306 HydrophobicContact CB-CG2 3.87Å; M33-V306 HydrophobicContact CE-CG1 4.36Å; M33-A308 HydrophobicContact CE-CB 3.85Å; M33-A308 HydrophobicContact CG-CB 4.38Å; M33-I317 HydrophobicContact CE-CG2 4.1Å; M33-I317 WeakPolarHBondContact CE-O 3.44Å; M33-I317 HydrophobicContact SD-CG2 4.41Å; M33-V319 HydrophobicContact SD-CG2 4.06Å |
| 34 | E | 90.2 | Very high | 88.6 | Confident | 34 Ų | 34 | 33.4 Ų | 33.4 | 16% | 0.159 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -93.4 | -21.5 | -174.3 | -63.2 | -67.1 | 144.2 | 0 | 0 | 112.6 | I73 M74 P76 K113 W114 | E34-I73 HydrophobicContact CG-CB 4.28Å; E34-M74 WeakPolarHBondContact CB-O 3.19Å; E34-M74 WeakPolarHBondContact CG-O 3.45Å; E34-P76 HydrophobicContact CB-CG 4.47Å; E34-K113 WeakPolarHBondContact OE2-CE 3.5Å; E34-K113 WeakPolarHBondContact OE2-CG 3.48Å; E34-W114 HydrophobicContact CG-CB 4.5Å; E34-W114 PolarHBondContact OE2-N 3.09Å; E34-W114 VanDerWaalsContact OE2-N 3.13Å |
| 35 | S | 91.6 | Very high | 88.1 | Confident | 7 Ų | 7 | 31.2 Ų | 31.2 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -148.1 | 179.3 | 174.3 | 65.4 | 0 | 0 | 0 | 0 | 109.9 | M33 K37 P76 | M33-S35 WeakPolarHBondContact CG-O 3.38Å; S35-K37 PolarHBondContact O-N 3.42Å; S35-K37 PolarHBondContact OG-N 3.45Å; S35-P76 VanDerWaalsContact CB-O 3.24Å; S35-P76 WeakPolarHBondContact CB-O 3.25Å; S35-P76 PolarHBondContact OG-O 2.73Å |
| 36 | D | 89.9 | Confident | 87.6 | Confident | 14 Ų | 14 | 34 Ų | 34 | 8% | 0.075 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -74.9 | -0.2 | 170.9 | 59.1 | -12.6 | 0 | 0 | 0 | 114.2 | M56 Y310 E311 P312 I317 | D36-M56 VanDerWaalsContact O-CB 3.24Å; D36-M56 WeakPolarHBondContact O-CB 3.4Å; D36-M56 VanDerWaalsContact O-CG 3.25Å; D36-M56 WeakPolarHBondContact O-CG 3.33Å; D36-Y310 HydrophobicContact CB-CD2 3.7Å; D36-Y310 HydrophobicContact CB-CE2 4.34Å; D36-Y310 VanDerWaalsContact OD2-CD2 3.31Å; D36-Y310 WeakPolarHBondContact OD2-CD2 3.5Å; D36-E311 PolarHBondContact OD2-N 3.4Å; D36-P312 WeakPolarHBondContact OD2-CD 3.24Å; D36-I317 HydrophobicContact CB-CD1 4.45Å; D36-I317 HydrophobicContact CB-CG2 3.92Å |
| 37 | K | 91.9 | Very high | 87 | Confident | 60 Ų | 60 | 42.3 Ų | 42.3 | 26% | 0.261 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -92.6 | -36.2 | -176.8 | -60.4 | -174.9 | -179.3 | 176 | 0 | 113.8 | S35 M56 | S35-K37 PolarHBondContact O-N 3.42Å; S35-K37 PolarHBondContact OG-N 3.45Å; K37-M56 PolarHBondContact O-N 2.96Å |
| 38 | F | 92.1 | Very high | 86.5 | Confident | 11 Ų | 11 | 46 Ų | 46 | 5% | 0.048 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 133.5 | -173.3 | -53 | -67.1 | 0 | 0 | 0 | 113 | I54 D55 M74 N75 K79 | F38-I54 WeakPolarHBondContact CA-O 3.41Å; F38-D55 HydrophobicContact CD1-CB 4.33Å; F38-D55 HydrophobicContact CE1-CB 4.28Å; F38-M74 HydrophobicContact CB-CB 3.95Å; F38-M74 HydrophobicContact CB-CG 4.18Å; F38-M74 HydrophobicContact CD2-CB 4.49Å; F38-M74 HydrophobicContact CD2-CE 4.43Å; F38-M74 HydrophobicContact CG-CB 4.48Å; F38-M74 HydrophobicContact CG-CE 4.29Å; F38-N75 WeakPolarHBondContact CD2-O 3.32Å; F38-K79 HydrophobicContact CE1-CG 4.15Å; F38-K79 HydrophobicContact CZ-CG 4.02Å |
| 39 | I | 92.9 | Very high | 86.6 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.3 | 167.3 | -58.8 | 173.2 | 0 | 0 | 0 | 108 | L31 M33 V41 I54 M56 V319 V325 | L31-I39 HydrophobicContact CD1-CG2 4Å; L31-I39 HydrophobicContact CD2-CG2 4.02Å; L31-I39 HydrophobicContact CG-CG2 3.96Å; M33-I39 HydrophobicContact CG-CG1 4.11Å; M33-I39 HydrophobicContact SD-CD1 4.34Å; M33-I39 HydrophobicContact SD-CG1 4.03Å; I39-V41 HydrophobicContact CG2-CG2 4.14Å; I39-I54 HydrophobicContact CB-CB 4.24Å; I39-I54 HydrophobicContact CB-CD1 4.28Å; I39-I54 HydrophobicContact CG2-CD1 4.24Å; I39-I54 PolarHBondContact N-O 3.26Å; I39-I54 PolarHBondContact O-N 2.94Å; I39-M56 HydrophobicContact CD1-SD 3.73Å; I39-M56 HydrophobicContact CG1-SD 4.27Å; I39-V319 HydrophobicContact CD1-CG2 4.17Å; I39-V325 HydrophobicContact CD1-CB 4.45Å; I39-V325 HydrophobicContact CD1-CG1 3.96Å; I39-V325 HydrophobicContact CD1-CG2 3.58Å |
| 40 | C | 92.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.007 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.4 | 178.9 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | L31 T32 V51 V52 M74 | L31-C40 CarbonylContact C-O 3.56Å; L31-C40 WeakPolarHBondContact CA-O 3.46Å; T32-C40 PolarHBondContact N-O 3.4Å; T32-C40 PolarHBondContact O-N 2.72Å; C40-V51 VanDerWaalsContact SG-CG1 3.53Å; C40-V52 CarbonylContact C-O 3.57Å; C40-V52 WeakPolarHBondContact CA-O 3.41Å; C40-M74 HydrophobicContact CB-CG 3.89Å |
| 41 | V | 91.3 | Very high | 87 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 126.4 | -177.6 | -169.4 | 0 | 0 | 0 | 0 | 109.6 | I21 S25 L31 I39 V51 V52 I54 | I21-V41 HydrophobicContact CD1-CB 4.37Å; I21-V41 HydrophobicContact CD1-CG2 4.34Å; I21-V41 HydrophobicContact CG2-CG1 3.91Å; S25-V41 WeakPolarHBondContact O-CG1 3.09Å; L31-V41 HydrophobicContact CD1-CG2 3.76Å; L31-V41 HydrophobicContact CG-CG2 3.97Å; I39-V41 HydrophobicContact CG2-CG2 4.14Å; V41-V51 CarbonylContact O-C 3.6Å; V41-V51 WeakPolarHBondContact O-CA 3.43Å; V41-V52 HydrophobicContact CB-CB 4.41Å; V41-V52 PolarHBondContact N-O 2.88Å; V41-V52 PolarHBondContact O-N 3.48Å; V41-I54 HydrophobicContact CG2-CD1 4.35Å |
| 42 | R | 89.8 | Confident | 87 | Confident | 65 Ų | 65 | 40.5 Ų | 40.5 | 25% | 0.245 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 113.6 | 167.7 | -60.4 | -169.7 | -56.3 | 130.2 | 3 | 108.6 | S29 T30 A69 D70 I72 | S29-R42 PolarHBondContact O-NH2 3.35Å; T30-R42 WeakPolarHBondContact CB-O 3.5Å; T30-R42 PolarHBondContact O-N 3.01Å; R42-A69 PolarHBondContact NH1-O 2.98Å; R42-D70 PolarHBondContact NE-O 3.48Å; R42-D70 PolarHBondContact NH1-O 3.42Å; R42-D70 PolarHBondContact NH2-O 2.96Å; R42-I72 HydrophobicContact CG-CD1 4.27Å |
| 43 | E | 86.2 | Confident | 87 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 2% | 0.023 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 133.5 | -177.2 | 178.8 | 171.6 | -128.4 | 0 | 0 | 109.5 | Q22 S25 Q50 V52 R64 | Q22-E43 VanDerWaalsContact CB-OE1 3.32Å; Q22-E43 WeakPolarHBondContact CB-OE1 3.34Å; Q22-E43 WeakPolarHBondContact CG-OE1 3.38Å; Q22-E43 PolarHBondContact N-OE1 3.36Å; S25-E43 WeakPolarHBondContact OG-CA 3.42Å; E43-Q50 HydrophobicContact CB-CG 4.19Å; E43-Q50 PolarHBondContact N-O 3.33Å; E43-Q50 PolarHBondContact O-N 3Å; E43-Q50 VanDerWaalsContact O-O 3.06Å; E43-Q50 PolarHBondContact OE2-NE2 3.09Å; E43-V52 HydrophobicContact CB-CG2 4.36Å; E43-R64 IonicContact OE2-NH1 2.64Å; E43-R64 PolarHBondContact OE2-NH1 3.21Å |
| 44 | K | 81.2 | Confident | 87 | Confident | 132 Ų | 132 | 39.5 Ų | 39.5 | 57% | 0.574 | 21% | 0.213 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 108 | 173.9 | -170.8 | 176.5 | 179.1 | 179.6 | 0 | 108.8 | G46 | K44-G46 WeakPolarHBondContact CE-O 3.45Å |
| 45 | T | 77.3 | Confident | 87 | Confident | 52 Ų | 52 | 39.4 Ų | 39.4 | 32% | 0.319 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 100.9 | 179.2 | -44.5 | 0 | 0 | 0 | 0 | 108.1 | E47 T48 Q50 | T45-E47 PolarHBondContact O-N 3.03Å; T45-T48 PolarHBondContact N-O 3.39Å; T45-T48 PolarHBondContact O-N 3.44Å; T45-T48 PolarHBondContact O-OG1 3.14Å; T45-Q50 PolarHBondContact OG1-NE2 2.98Å; T45-Q50 VanDerWaalsContact OG1-NE2 3.15Å |
| 46 | G | 77.9 | Confident | 86.9 | Confident | 65 Ų | 65 | 40.6 Ų | 40.6 | 67% | 0.67 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | -124.8 | -171 | 0 | 0 | 0 | 0 | 0 | 111.7 | K44 | K44-G46 WeakPolarHBondContact CE-O 3.45Š|
| 47 | E | 74.4 | Confident | 86.8 | Confident | 186 Ų | 186 | 46.6 Ų | 46.6 | 87% | 0.869 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -18.4 | 173.7 | -62.5 | -158.2 | 155.7 | 0 | 0 | 113.3 | T45 | T45-E47 PolarHBondContact O-N 3.03Š|
| 48 | T | 77 | Confident | 86.6 | Confident | 93 Ų | 93 | 47.3 Ų | 47.3 | 57% | 0.571 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 129.2 | -176.7 | 60.9 | 0 | 0 | 0 | 0 | 111.7 | T45 | T45-T48 PolarHBondContact N-O 3.39Å; T45-T48 PolarHBondContact O-N 3.44Å; T45-T48 PolarHBondContact O-OG1 3.14Å |
| 49 | S | 81.6 | Confident | 86.2 | Confident | 49 Ų | 49 | 48.1 Ų | 48.1 | 34% | 0.343 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 126.7 | 170.6 | -59.9 | 0 | 0 | 0 | 0 | 109.1 | ||
| 50 | Q | 86.9 | Confident | 85.9 | Confident | 40 Ų | 40 | 54 Ų | 54 | 19% | 0.187 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 163.9 | 178.2 | 66.3 | 176.5 | -7.8 | 0 | 0 | 111.3 | E43 T45 R65 | E43-Q50 HydrophobicContact CB-CG 4.19Å; E43-Q50 PolarHBondContact N-O 3.33Å; E43-Q50 PolarHBondContact O-N 3Å; E43-Q50 VanDerWaalsContact O-O 3.06Å; E43-Q50 PolarHBondContact OE2-NE2 3.09Å; T45-Q50 PolarHBondContact OG1-NE2 2.98Å; T45-Q50 VanDerWaalsContact OG1-NE2 3.15Å; Q50-R65 CarbonylContact C-O 3.59Å; Q50-R65 WeakPolarHBondContact CA-O 3.43Å |
| 51 | V | 88.5 | Confident | 85.7 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.6 | -176.3 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | C40 V41 I53 R64 R65 I67 I72 | C40-V51 VanDerWaalsContact SG-CG1 3.53Å; V41-V51 CarbonylContact O-C 3.6Å; V41-V51 WeakPolarHBondContact O-CA 3.43Å; V51-I53 HydrophobicContact CG1-CG1 4.28Å; V51-R64 CarbonylContact O-C 3.59Å; V51-R64 WeakPolarHBondContact O-CA 3.35Å; V51-R65 PolarHBondContact N-O 3.44Å; V51-R65 PolarHBondContact O-N 3Å; V51-I67 HydrophobicContact CB-CB 4.48Å; V51-I67 HydrophobicContact CG2-CB 3.69Å; V51-I67 HydrophobicContact CG2-CG2 4.13Å; V51-I72 HydrophobicContact CB-CD1 4.03Å; V51-I72 HydrophobicContact CG1-CD1 3.74Å; V51-I72 HydrophobicContact CG1-CG2 4.39Å; V51-I72 HydrophobicContact CG2-CD1 3.09Å |
| 52 | V | 90.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 119.8 | -179.5 | -167.9 | 0 | 0 | 0 | 0 | 108.2 | I21 C40 V41 E43 I54 P62 T63 R64 | I21-V52 HydrophobicContact CD1-CB 3.79Å; I21-V52 HydrophobicContact CD1-CG1 3.62Å; I21-V52 HydrophobicContact CD1-CG2 3.98Å; C40-V52 CarbonylContact C-O 3.57Å; C40-V52 WeakPolarHBondContact CA-O 3.41Å; V41-V52 HydrophobicContact CB-CB 4.41Å; V41-V52 PolarHBondContact N-O 2.88Å; V41-V52 PolarHBondContact O-N 3.48Å; E43-V52 HydrophobicContact CB-CG2 4.36Å; V52-I54 HydrophobicContact CG1-CG1 4.49Å; V52-P62 HydrophobicContact CG1-CB 3.72Å; V52-T63 CarbonylContact C-O 3.6Å; V52-T63 WeakPolarHBondContact CA-O 3.45Å; V52-R64 HydrophobicContact CB-CG 4.49Å; V52-R64 HydrophobicContact CG1-CG 3.97Å; V52-R64 HydrophobicContact CG2-CG 4.05Å |
| 53 | I | 91 | Very high | 85.4 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 6% | 0.056 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 122.6 | 179.8 | -56.4 | 171.4 | 0 | 0 | 0 | 107.6 | V51 T63 M74 M81 I94 | V51-I53 HydrophobicContact CG1-CG1 4.28Å; I53-T63 PolarHBondContact N-O 3.44Å; I53-T63 PolarHBondContact O-N 2.95Å; I53-M74 HydrophobicContact CD1-SD 3.84Å; I53-M74 HydrophobicContact CG1-SD 4.31Å; I53-M74 HydrophobicContact CG2-CE 4.09Å; I53-M74 HydrophobicContact CG2-CG 4.34Å; I53-M74 HydrophobicContact CG2-SD 4.15Å; I53-M81 HydrophobicContact CD1-CE 3.81Å; I53-I94 HydrophobicContact CD1-CD1 3.47Å; I53-I94 VanDerWaalsContact CD1-CD1 3.47Å |
| 54 | I | 92.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 118.1 | -179.4 | -57.6 | 155.3 | 0 | 0 | 0 | 107 | L14 L16 I19 I21 F38 I39 V41 V52 M56 P59 P62 | L14-I54 HydrophobicContact CD2-CG2 4Å; L16-I54 HydrophobicContact CD2-CD1 3.29Å; I19-I54 HydrophobicContact CD1-CD1 3.59Å; I19-I54 HydrophobicContact CD1-CG1 3.78Å; I19-I54 HydrophobicContact CD1-CG2 4.31Å; I21-I54 HydrophobicContact CG1-CD1 4.48Å; F38-I54 WeakPolarHBondContact CA-O 3.41Å; I39-I54 HydrophobicContact CB-CB 4.24Å; I39-I54 HydrophobicContact CB-CD1 4.28Å; I39-I54 HydrophobicContact CG2-CD1 4.24Å; I39-I54 PolarHBondContact N-O 3.26Å; I39-I54 PolarHBondContact O-N 2.94Å; V41-I54 HydrophobicContact CG2-CD1 4.35Å; V52-I54 HydrophobicContact CG1-CG1 4.49Å; I54-M56 HydrophobicContact CG2-SD 4.43Å; I54-P59 HydrophobicContact CG2-CB 4.38Å; I54-P62 HydrophobicContact CG1-CB 4.08Å |
| 55 | D | 90.7 | Very high | 85.6 | Confident | 33 Ų | 33 | 62.9 Ų | 62.9 | 18% | 0.176 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 120.3 | 171.2 | -169.3 | -29 | 0 | 0 | 0 | 107.8 | F38 N57 D58 P59 K79 | F38-D55 HydrophobicContact CD1-CB 4.33Å; F38-D55 HydrophobicContact CE1-CB 4.28Å; D55-N57 PolarHBondContact O-N 3.36Å; D55-N57 WeakPolarHBondContact OD1-CB 3.46Å; D55-N57 PolarHBondContact OD1-N 3.26Å; D55-D58 CarbonylContact O-C 3.58Å; D55-D58 PolarHBondContact O-N 3.17Å; D55-P59 WeakPolarHBondContact O-CA 3.26Å; D55-P59 VanDerWaalsContact O-N 3.07Å; D55-K79 WeakPolarHBondContact OD2-CE 3.42Å; D55-K79 IonicContact OD2-NZ 2.72Å |
| 56 | M | 89.5 | Confident | 85.8 | Confident | 31 Ų | 31 | 66 Ų | 66 | 15% | 0.153 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -12.7 | -176.8 | -69.2 | -60.5 | -60.1 | 0 | 0 | 112.9 | H13 D36 K37 I39 I54 V325 | H13-M56 HydrophobicContact CB-CE 3.87Å; D36-M56 VanDerWaalsContact O-CB 3.24Å; D36-M56 WeakPolarHBondContact O-CB 3.4Å; D36-M56 VanDerWaalsContact O-CG 3.25Å; D36-M56 WeakPolarHBondContact O-CG 3.33Å; K37-M56 PolarHBondContact O-N 2.96Å; I39-M56 HydrophobicContact CD1-SD 3.73Å; I39-M56 HydrophobicContact CG1-SD 4.27Å; I54-M56 HydrophobicContact CG2-SD 4.43Å; M56-V325 HydrophobicContact CE-CG1 3.89Å; M56-V325 HydrophobicContact SD-CG1 4.45Å |
| 57 | N | 86.8 | Confident | 85.9 | Confident | 140 Ų | 140 | 64.9 Ų | 64.9 | 75% | 0.749 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -21.3 | 169.1 | -64.2 | -40.8 | 0 | 0 | 0 | 112.8 | D55 | D55-N57 PolarHBondContact O-N 3.36Å; D55-N57 WeakPolarHBondContact OD1-CB 3.46Å; D55-N57 PolarHBondContact OD1-N 3.26Å |
| 58 | D | 88.6 | Confident | 86.1 | Confident | 75 Ų | 75 | 60.9 Ų | 60.9 | 40% | 0.401 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -140.4 | 66.5 | 174.4 | -173.6 | 14.9 | 0 | 0 | 0 | 111 | D55 M60 N61 | D55-D58 CarbonylContact O-C 3.58Å; D55-D58 PolarHBondContact O-N 3.17Å; D58-M60 PolarHBondContact O-N 2.98Å; D58-M60 VanDerWaalsContact O-N 3.16Å; D58-N61 PolarHBondContact O-N 2.89Å; D58-N61 PolarHBondContact OD1-ND2 3.39Å; D58-N61 VanDerWaalsContact OD1-ND2 3.15Å; D58-N61 WeakPolarHBondContact OD2-CB 3.43Å; D58-N61 PolarHBondContact OD2-ND2 3.32Å |
| 59 | P | 84.7 | Confident | 86.3 | Confident | 28 Ų | 28 | 57 Ų | 57 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -17.2 | -168.8 | 26.3 | -34.4 | 0 | 0 | 0 | 113.6 | L14 I54 D55 N61 | L14-P59 HydrophobicContact CD1-CB 4.1Å; L14-P59 HydrophobicContact CD2-CB 3.78Å; L14-P59 HydrophobicContact CG-CB 4.43Å; I54-P59 HydrophobicContact CG2-CB 4.38Å; D55-P59 WeakPolarHBondContact O-CA 3.26Å; D55-P59 VanDerWaalsContact O-N 3.07Å; P59-N61 VanDerWaalsContact C-N 3.34Å |
| 60 | M | 85.6 | Confident | 86.3 | Confident | 126 Ų | 126 | 58.5 Ų | 58.5 | 62% | 0.621 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -15.5 | -177.5 | -63.9 | -61.4 | 162.8 | 0 | 0 | 113.1 | L14 I19 D58 P62 | L14-M60 HydrophobicContact CD1-CE 4.21Å; I19-M60 HydrophobicContact CG2-SD 4.26Å; D58-M60 PolarHBondContact O-N 2.98Å; D58-M60 VanDerWaalsContact O-N 3.16Å; M60-P62 WeakPolarHBondContact O-CD 3.35Å |
| 61 | N | 87 | Confident | 86.2 | Confident | 107 Ų | 107 | 58.4 Ų | 58.4 | 57% | 0.572 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -116.2 | 70.5 | -178 | -64.1 | -46.3 | 0 | 0 | 0 | 112.1 | D58 P59 | D58-N61 PolarHBondContact O-N 2.89Å; D58-N61 PolarHBondContact OD1-ND2 3.39Å; D58-N61 VanDerWaalsContact OD1-ND2 3.15Å; D58-N61 WeakPolarHBondContact OD2-CB 3.43Å; D58-N61 PolarHBondContact OD2-ND2 3.32Å; P59-N61 VanDerWaalsContact C-N 3.34Å |
| 62 | P | 87.3 | Confident | 86.2 | Confident | 32 Ų | 32 | 58.4 Ų | 58.4 | 21% | 0.208 | 32% | 0.318 | C | S | . | . | trans | -67.6 | 134.6 | -179.1 | 28.3 | -35 | 0 | 0 | 0 | 112.3 | I19 V52 I54 M60 | I19-P62 HydrophobicContact CD1-CB 4.41Å; I19-P62 HydrophobicContact CD1-CG 4.44Å; V52-P62 HydrophobicContact CG1-CB 3.72Å; I54-P62 HydrophobicContact CG1-CB 4.08Å; M60-P62 WeakPolarHBondContact O-CD 3.35Å | ||
| 63 | T | 87.9 | Confident | 86.2 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 39% | 0.387 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 115.3 | 177.6 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | V52 I53 R65 | V52-T63 CarbonylContact C-O 3.6Å; V52-T63 WeakPolarHBondContact CA-O 3.45Å; I53-T63 PolarHBondContact N-O 3.44Å; I53-T63 PolarHBondContact O-N 2.95Å; T63-R65 HydrophobicContact CG2-CG 4.4Å |
| 64 | R | 87 | Confident | 86.3 | Confident | 94 Ų | 94 | 58.1 Ų | 58.1 | 36% | 0.355 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 131.8 | 179.7 | -57.8 | 179.9 | 176.7 | -102.5 | 1.6 | 111.3 | I19 G20 E43 V51 V52 | I19-R64 PolarHBondContact O-NH2 3.45Å; G20-R64 PolarHBondContact O-NH2 2.9Å; E43-R64 IonicContact OE2-NH1 2.64Å; E43-R64 PolarHBondContact OE2-NH1 3.21Å; V51-R64 CarbonylContact O-C 3.59Å; V51-R64 WeakPolarHBondContact O-CA 3.35Å; V52-R64 HydrophobicContact CB-CG 4.49Å; V52-R64 HydrophobicContact CG1-CG 3.97Å; V52-R64 HydrophobicContact CG2-CG 4.05Å |
| 65 | R | 84.2 | Confident | 86.3 | Confident | 93 Ų | 93 | 58.1 Ų | 58.1 | 35% | 0.351 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 130.8 | -179 | -65.8 | -70.2 | -173.9 | 152.3 | 2.7 | 111.2 | Q50 V51 T63 I67 | Q50-R65 CarbonylContact C-O 3.59Å; Q50-R65 WeakPolarHBondContact CA-O 3.43Å; V51-R65 PolarHBondContact N-O 3.44Å; V51-R65 PolarHBondContact O-N 3Å; T63-R65 HydrophobicContact CG2-CG 4.4Å; R65-I67 VanDerWaalsContact C-N 3.3Å; R65-I67 HydrophobicContact CB-CD1 3.69Å; R65-I67 HydrophobicContact CB-CG1 3.94Å; R65-I67 HydrophobicContact CG-CD1 4.43Å; R65-I67 PolarHBondContact O-N 3.47Å |
| 66 | P | 81.9 | Confident | 86.2 | Confident | 117 Ų | 117 | 57.6 Ų | 57.6 | 76% | 0.76 | 31% | 0.314 | S | S | * | . | trans | -78.1 | 76.7 | 179.4 | 32.8 | -35 | 0 | 0 | 0 | 110.8 | ||||
| 67 | I | 81.1 | Confident | 86.2 | Confident | 42 Ų | 42 | 59.4 Ų | 59.4 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | trans | -115.6 | 120.1 | -176.2 | -64.9 | 171.2 | 0 | 0 | 0 | 108.7 | V51 R65 A69 I72 M81 L83 | V51-I67 HydrophobicContact CB-CB 4.48Å; V51-I67 HydrophobicContact CG2-CB 3.69Å; V51-I67 HydrophobicContact CG2-CG2 4.13Å; R65-I67 VanDerWaalsContact C-N 3.3Å; R65-I67 HydrophobicContact CB-CD1 3.69Å; R65-I67 HydrophobicContact CB-CG1 3.94Å; R65-I67 HydrophobicContact CG-CD1 4.43Å; R65-I67 PolarHBondContact O-N 3.47Å; I67-A69 HydrophobicContact CG2-CB 4.3Å; I67-I72 HydrophobicContact CG2-CD1 4.11Å; I67-M81 HydrophobicContact CD1-CE 3.95Å; I67-M81 HydrophobicContact CD1-SD 3.87Å; I67-L83 HydrophobicContact CD1-CD2 4.37Å; I67-L83 HydrophobicContact CG2-CD2 3.33Å | ||
| 68 | S | 77.9 | Confident | 86.3 | Confident | 102 Ų | 102 | 54.7 Ų | 54.7 | 71% | 0.713 | 31% | 0.305 | S | S | * | . | trans | -90.9 | 103.1 | 173 | -166.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 69 | A | 80.5 | Confident | 86.2 | Confident | 12 Ų | 12 | 55 Ų | 55 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | trans | -146.7 | 149 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | R42 I67 I72 L83 K84 | R42-A69 PolarHBondContact NH1-O 2.98Å; I67-A69 HydrophobicContact CG2-CB 4.3Å; A69-I72 HydrophobicContact CB-CD1 4Å; A69-I72 HydrophobicContact CB-CG1 3.87Å; A69-L83 HydrophobicContact CB-CB 4.33Å; A69-L83 HydrophobicContact CB-CD2 4.33Å; A69-K84 CarbonylContact C-O 3.58Å | ||
| 70 | D | 81.8 | Confident | 86.4 | Confident | 81 Ų | 81 | 53.8 Ų | 53.8 | 43% | 0.433 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -74.4 | -28.4 | -179 | -61.9 | -33.1 | 0 | 0 | 0 | 112.8 | R42 K84 G86 | R42-D70 PolarHBondContact NE-O 3.48Å; R42-D70 PolarHBondContact NH1-O 3.42Å; R42-D70 PolarHBondContact NH2-O 2.96Å; D70-K84 WeakPolarHBondContact CA-O 3.38Å; D70-K84 WeakPolarHBondContact CB-O 3.24Å; D70-K84 PolarHBondContact N-O 2.99Å; D70-G86 PolarHBondContact OD2-N 3.42Å |
| 71 | T | 85.1 | Confident | 86.6 | Confident | 37 Ų | 37 | 47.9 Ų | 47.9 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 137.8 | 179 | -48.5 | 0 | 0 | 0 | 0 | 109.6 | K84 | T71-K84 PolarHBondContact N-O 3.04Å; T71-K84 PolarHBondContact O-N 3.46Å |
| 72 | I | 88.2 | Confident | 86.7 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 131.5 | 179.4 | -55.6 | 175.9 | 0 | 0 | 0 | 108.8 | T32 R42 V51 I67 A69 M81 A82 L83 | T32-I72 WeakPolarHBondContact CG2-O 3.03Å; T32-I72 PolarHBondContact OG1-O 3.44Å; R42-I72 HydrophobicContact CG-CD1 4.27Å; V51-I72 HydrophobicContact CB-CD1 4.03Å; V51-I72 HydrophobicContact CG1-CD1 3.74Å; V51-I72 HydrophobicContact CG1-CG2 4.39Å; V51-I72 HydrophobicContact CG2-CD1 3.09Å; I67-I72 HydrophobicContact CG2-CD1 4.11Å; A69-I72 HydrophobicContact CB-CD1 4Å; A69-I72 HydrophobicContact CB-CG1 3.87Å; I72-M81 HydrophobicContact CG2-CB 4.29Å; I72-M81 HydrophobicContact CG2-SD 4.43Å; I72-A82 WeakPolarHBondContact CA-O 3.29Å; I72-L83 HydrophobicContact CD1-CD2 4.09Å; I72-L83 HydrophobicContact CG1-CD2 4.23Å |
| 73 | I | 91.5 | Very high | 86.8 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 135.1 | 177.3 | 55.3 | 175.5 | 0 | 0 | 0 | 109.8 | T32 E34 M81 A82 C112 W114 I120 | T32-I73 HydrophobicContact CG2-CG2 3.98Å; E34-I73 HydrophobicContact CG-CB 4.28Å; I73-M81 WeakPolarHBondContact O-CA 3.41Å; I73-A82 HydrophobicContact CD1-CB 4.38Å; I73-A82 HydrophobicContact CG1-CB 3.88Å; I73-A82 PolarHBondContact N-O 2.87Å; I73-A82 PolarHBondContact O-N 3.25Å; I73-C112 HydrophobicContact CD1-CB 4.15Å; I73-W114 HydrophobicContact CD1-CG 4.35Å; I73-I120 HydrophobicContact CD1-CG2 4.01Å |
| 74 | M | 92.3 | Very high | 86.8 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 145 | 175.8 | -74 | -62.7 | -63.1 | 0 | 0 | 110.6 | E34 F38 C40 I53 M81 I94 W114 | E34-M74 WeakPolarHBondContact CB-O 3.19Å; E34-M74 WeakPolarHBondContact CG-O 3.45Å; F38-M74 HydrophobicContact CB-CB 3.95Å; F38-M74 HydrophobicContact CB-CG 4.18Å; F38-M74 HydrophobicContact CD2-CB 4.49Å; F38-M74 HydrophobicContact CD2-CE 4.43Å; F38-M74 HydrophobicContact CG-CB 4.48Å; F38-M74 HydrophobicContact CG-CE 4.29Å; C40-M74 HydrophobicContact CB-CG 3.89Å; I53-M74 HydrophobicContact CD1-SD 3.84Å; I53-M74 HydrophobicContact CG1-SD 4.31Å; I53-M74 HydrophobicContact CG2-CE 4.09Å; I53-M74 HydrophobicContact CG2-CG 4.34Å; I53-M74 HydrophobicContact CG2-SD 4.15Å; M74-M81 HydrophobicContact SD-CB 3.71Å; M74-I94 HydrophobicContact CE-CD1 3.71Å; M74-I94 HydrophobicContact SD-CD1 3.95Å; M74-W114 PolarHBondContact O-NE1 3.39Å |
| 75 | N | 93 | Very high | 86.7 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | trans | -60.8 | 142.9 | 170.6 | -178 | -84.7 | 0 | 0 | 0 | 110.1 | F38 V77 S78 V80 W114 V117 | F38-N75 WeakPolarHBondContact CD2-O 3.32Å; N75-V77 PolarHBondContact O-N 3.28Å; N75-V77 VanDerWaalsContact O-N 3.13Å; N75-V77 PolarHBondContact OD1-N 3.26Å; N75-V77 VanDerWaalsContact OD1-N 3.08Å; N75-S78 WeakPolarHBondContact CB-O 3.31Å; N75-S78 PolarHBondContact OD1-N 3.48Å; N75-S78 PolarHBondContact OD1-OG 3.32Å; N75-V80 HydrophobicContact CB-CB 3.96Å; N75-V80 WeakPolarHBondContact CB-O 3.47Å; N75-V80 PolarHBondContact N-O 3.14Å; N75-W114 HydrophobicContact CB-CH2 4.47Å; N75-W114 HydrophobicContact CB-CZ2 4.09Å; N75-W114 WeakPolarHBondContact ND2-CH2 3.41Å; N75-W114 WeakPolarHBondContact ND2-CZ3 3.3Å; N75-V117 PolarHBondContact ND2-O 2.65Å | ||
| 76 | P | 89.1 | Confident | 86.6 | Confident | 21 Ų | 21 | 35.1 Ų | 35.1 | 14% | 0.136 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -61.6 | -24.3 | -174.7 | -26 | 35 | 0 | 0 | 0 | 114.9 | E34 S35 W114 | E34-P76 HydrophobicContact CB-CG 4.47Å; S35-P76 VanDerWaalsContact CB-O 3.24Å; S35-P76 WeakPolarHBondContact CB-O 3.25Å; S35-P76 PolarHBondContact OG-O 2.73Å; P76-W114 HydrophobicContact CG-CB 3.8Å; P76-W114 HydrophobicContact CG-CG 4.37Å |
| 77 | V | 88.9 | Confident | 86.9 | Confident | 69 Ų | 69 | 33.8 Ų | 33.8 | 42% | 0.418 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -125.2 | -37.8 | -172.8 | -179.9 | 0 | 0 | 0 | 0 | 113.1 | N75 V117 | N75-V77 PolarHBondContact O-N 3.28Å; N75-V77 VanDerWaalsContact O-N 3.13Å; N75-V77 PolarHBondContact OD1-N 3.26Å; N75-V77 VanDerWaalsContact OD1-N 3.08Å; V77-V117 HydrophobicContact CB-CG1 4.24Å; V77-V117 HydrophobicContact CB-CG2 4.38Å; V77-V117 HydrophobicContact CG2-CG1 4.43Å; V77-V117 HydrophobicContact CG2-CG2 3.69Å |
| 78 | S | 88.2 | Confident | 87.3 | Confident | 42 Ų | 42 | 34.7 Ų | 34.7 | 29% | 0.294 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -106.5 | 161.1 | -172.8 | 62.1 | 0 | 0 | 0 | 0 | 113 | N75 V80 | N75-S78 WeakPolarHBondContact CB-O 3.31Å; N75-S78 PolarHBondContact OD1-N 3.48Å; N75-S78 PolarHBondContact OD1-OG 3.32Å; S78-V80 PolarHBondContact O-N 3.09Å |
| 79 | K | 87 | Confident | 87.9 | Confident | 80 Ų | 80 | 30 Ų | 30 | 35% | 0.348 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -78.4 | 54.2 | 176.3 | -64.5 | -171.9 | -176.4 | 175.2 | 0 | 112.1 | F38 D55 I94 E95 | F38-K79 HydrophobicContact CE1-CG 4.15Å; F38-K79 HydrophobicContact CZ-CG 4.02Å; D55-K79 WeakPolarHBondContact OD2-CE 3.42Å; D55-K79 IonicContact OD2-NZ 2.72Å; K79-I94 HydrophobicContact CB-CB 4.3Å; K79-I94 HydrophobicContact CB-CD1 4.42Å; K79-I94 VanDerWaalsContact O-CB 3.24Å; K79-I94 WeakPolarHBondContact O-CB 3.31Å; K79-I94 VanDerWaalsContact O-CG1 3.24Å; K79-I94 WeakPolarHBondContact O-CG1 3.25Å; K79-I94 PolarHBondContact O-N 2.87Å; K79-E95 HydrophobicContact CB-CG 4.03Å; K79-E95 HydrophobicContact CD-CG 4.13Å; K79-E95 WeakPolarHBondContact CD-OE1 3.4Å |
| 80 | V | 89.5 | Confident | 88.3 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.1 | 177.3 | 175.4 | 0 | 0 | 0 | 0 | 108.7 | N75 S78 I91 F92 N93 M100 M133 | N75-V80 HydrophobicContact CB-CB 3.96Å; N75-V80 WeakPolarHBondContact CB-O 3.47Å; N75-V80 PolarHBondContact N-O 3.14Å; S78-V80 PolarHBondContact O-N 3.09Å; V80-I91 HydrophobicContact CG1-CG2 3.46Å; V80-I91 VanDerWaalsContact CG1-CG2 3.46Å; V80-F92 WeakPolarHBondContact CA-O 3.36Å; V80-N93 HydrophobicContact CG2-CB 4.34Å; V80-M100 HydrophobicContact CG1-SD 4.07Å; V80-M100 HydrophobicContact CG2-SD 4.24Å; V80-M133 HydrophobicContact CB-CE 4.19Å; V80-M133 HydrophobicContact CG1-CE 3.82Å; V80-M133 HydrophobicContact CG1-SD 4.2Å; V80-M133 HydrophobicContact CG2-CE 3.78Å |
| 81 | M | 89.4 | Confident | 88.7 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 142 | 177.3 | 68.3 | 171.4 | 92.8 | 0 | 0 | 111 | I53 I67 I72 I73 M74 L83 I91 F92 I94 | I53-M81 HydrophobicContact CD1-CE 3.81Å; I67-M81 HydrophobicContact CD1-CE 3.95Å; I67-M81 HydrophobicContact CD1-SD 3.87Å; I72-M81 HydrophobicContact CG2-CB 4.29Å; I72-M81 HydrophobicContact CG2-SD 4.43Å; I73-M81 WeakPolarHBondContact O-CA 3.41Å; M74-M81 HydrophobicContact SD-CB 3.71Å; M81-L83 HydrophobicContact CG-CD1 3.88Å; M81-L83 HydrophobicContact CG-CG 4.2Å; M81-L83 HydrophobicContact SD-CD1 4.04Å; M81-L83 HydrophobicContact SD-CD2 3.78Å; M81-L83 HydrophobicContact SD-CG 4.02Å; M81-I91 WeakPolarHBondContact O-CA 3.46Å; M81-F92 HydrophobicContact CE-CD1 4.45Å; M81-F92 HydrophobicContact CG-CB 3.92Å; M81-F92 PolarHBondContact N-O 3.28Å; M81-F92 PolarHBondContact O-N 3.48Å; M81-I94 HydrophobicContact CE-CD1 3.62Å; M81-I94 HydrophobicContact CE-CG1 3.45Å; M81-I94 VanDerWaalsContact CE-CG1 3.45Å; M81-I94 HydrophobicContact CG-CG1 4.48Å |
| 82 | A | 90 | Very high | 88.8 | Confident | 8 Ų | 8 | 29.5 Ų | 29.5 | 7% | 0.066 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | I72 I73 Q90 I91 W114 I120 | I72-A82 WeakPolarHBondContact CA-O 3.29Å; I73-A82 HydrophobicContact CD1-CB 4.38Å; I73-A82 HydrophobicContact CG1-CB 3.88Å; I73-A82 PolarHBondContact N-O 2.87Å; I73-A82 PolarHBondContact O-N 3.25Å; A82-Q90 CarbonylContact C-O 3.46Å; A82-Q90 VanDerWaalsContact CA-O 3.31Å; A82-Q90 WeakPolarHBondContact CA-O 3.33Å; A82-I91 HydrophobicContact CB-CG1 4.42Å; A82-W114 HydrophobicContact CB-CZ2 4.17Å; A82-I120 HydrophobicContact CB-CD1 3.58Å |
| 83 | L | 88.5 | Confident | 88.8 | Confident | 16 Ų | 16 | 30.4 Ų | 30.4 | 8% | 0.084 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 142 | -175.2 | -48.4 | 106.9 | 0 | 0 | 0 | 110.3 | I67 A69 I72 M81 L89 Q90 F92 | I67-L83 HydrophobicContact CD1-CD2 4.37Å; I67-L83 HydrophobicContact CG2-CD2 3.33Å; A69-L83 HydrophobicContact CB-CB 4.33Å; A69-L83 HydrophobicContact CB-CD2 4.33Å; I72-L83 HydrophobicContact CD1-CD2 4.09Å; I72-L83 HydrophobicContact CG1-CD2 4.23Å; M81-L83 HydrophobicContact CG-CD1 3.88Å; M81-L83 HydrophobicContact CG-CG 4.2Å; M81-L83 HydrophobicContact SD-CD1 4.04Å; M81-L83 HydrophobicContact SD-CD2 3.78Å; M81-L83 HydrophobicContact SD-CG 4.02Å; L83-L89 CarbonylContact O-C 3.6Å; L83-L89 WeakPolarHBondContact O-CA 3.22Å; L83-Q90 HydrophobicContact CB-CB 4.45Å; L83-Q90 HydrophobicContact CD1-CB 4.08Å; L83-Q90 PolarHBondContact N-O 3.42Å; L83-Q90 PolarHBondContact O-N 3.49Å; L83-F92 HydrophobicContact CD1-CB 3.81Å |
| 84 | K | 87.5 | Confident | 88.4 | Confident | 25 Ų | 25 | 31.3 Ų | 31.3 | 11% | 0.109 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 127.9 | 172.2 | 178.3 | -152.5 | 156.3 | -160.3 | 0 | 109.7 | A69 D70 T71 G86 L88 L89 V109 | A69-K84 CarbonylContact C-O 3.58Å; D70-K84 WeakPolarHBondContact CA-O 3.38Å; D70-K84 WeakPolarHBondContact CB-O 3.24Å; D70-K84 PolarHBondContact N-O 2.99Å; T71-K84 PolarHBondContact N-O 3.04Å; T71-K84 PolarHBondContact O-N 3.46Å; K84-G86 WeakPolarHBondContact CE-O 3.49Å; K84-L88 CarbonylContact C-O 3.57Å; K84-L88 WeakPolarHBondContact CA-O 3.32Å; K84-L89 HydrophobicContact CB-CD2 3.8Å; K84-L89 HydrophobicContact CG-CD2 3.76Å; K84-V109 HydrophobicContact CD-CB 4.11Å; K84-V109 HydrophobicContact CD-CG1 4.48Å; K84-V109 WeakPolarHBondContact CD-O 3.46Å; K84-V109 WeakPolarHBondContact CE-O 3.27Å; K84-V109 PolarHBondContact NZ-O 2.91Å |
| 85 | A | 84.8 | Confident | 87.9 | Confident | 44 Ų | 44 | 37.5 Ų | 37.5 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 105.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | K87 L88 | A85-K87 PolarHBondContact O-N 3.08Å; A85-K87 VanDerWaalsContact O-N 3.16Å; A85-L88 PolarHBondContact N-O 3.2Å; A85-L88 WeakPolarHBondContact O-CB 3.34Å; A85-L88 PolarHBondContact O-N 2.68Å |
| 86 | G | 82.6 | Confident | 87.5 | Confident | 28 Ų | 28 | 43.3 Ų | 43.3 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | -115.3 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D70 K84 | D70-G86 PolarHBondContact OD2-N 3.42Å; K84-G86 WeakPolarHBondContact CE-O 3.49Å |
| 87 | K | 87.2 | Confident | 87.1 | Confident | 89 Ų | 89 | 49.6 Ų | 49.6 | 39% | 0.387 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -12.3 | 176.6 | -62.9 | -173.7 | -179.2 | -165.2 | 0 | 114.1 | A85 T104 M105 P106 D108 | A85-K87 PolarHBondContact O-N 3.08Å; A85-K87 VanDerWaalsContact O-N 3.16Å; K87-T104 HydrophobicContact CB-CG2 4.05Å; K87-T104 WeakPolarHBondContact O-CA 3.49Å; K87-M105 WeakPolarHBondContact CB-O 3.32Å; K87-M105 WeakPolarHBondContact CD-O 3.49Å; K87-M105 PolarHBondContact O-N 2.88Å; K87-P106 PolarHBondContact NZ-O 2.78Å; K87-D108 WeakPolarHBondContact CE-OD1 3.33Å; K87-D108 WeakPolarHBondContact CG-OD1 3.31Å |
| 88 | L | 90.6 | Very high | 86.9 | Confident | 60 Ų | 60 | 48.5 Ų | 48.5 | 31% | 0.314 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 124.9 | -175.6 | -174.5 | 65.9 | 0 | 0 | 0 | 110.6 | K84 A85 Q90 | K84-L88 CarbonylContact C-O 3.57Å; K84-L88 WeakPolarHBondContact CA-O 3.32Å; A85-L88 PolarHBondContact N-O 3.2Å; A85-L88 WeakPolarHBondContact O-CB 3.34Å; A85-L88 PolarHBondContact O-N 2.68Å; L88-Q90 HydrophobicContact CG-CG 4.35Å |
| 89 | L | 89.9 | Confident | 86.7 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 136.9 | 174.4 | -58.1 | 176 | 0 | 0 | 0 | 110 | L83 K84 T102 Y103 M105 V109 L122 W131 | L83-L89 CarbonylContact O-C 3.6Å; L83-L89 WeakPolarHBondContact O-CA 3.22Å; K84-L89 HydrophobicContact CB-CD2 3.8Å; K84-L89 HydrophobicContact CG-CD2 3.76Å; L89-T102 CarbonylContact O-C 3.58Å; L89-T102 VanDerWaalsContact O-CA 3.26Å; L89-T102 WeakPolarHBondContact O-CA 3.42Å; L89-Y103 PolarHBondContact N-O 3.01Å; L89-Y103 PolarHBondContact O-N 3.04Å; L89-M105 HydrophobicContact CD1-CE 3.97Å; L89-M105 HydrophobicContact CD1-CG 3.66Å; L89-M105 HydrophobicContact CG-CG 4.3Å; L89-V109 HydrophobicContact CD1-CG2 4.28Å; L89-V109 HydrophobicContact CD2-CG2 4.24Å; L89-L122 HydrophobicContact CD1-CD1 3.49Å; L89-L122 VanDerWaalsContact CD1-CD1 3.49Å; L89-L122 HydrophobicContact CD1-CD2 3.96Å; L89-L122 HydrophobicContact CD1-CG 4.33Å; L89-L122 HydrophobicContact CD2-CD2 4.41Å; L89-W131 HydrophobicContact CB-CH2 4.2Å; L89-W131 HydrophobicContact CB-CZ3 3.84Å; L89-W131 HydrophobicContact CD1-CE3 4.5Å; L89-W131 HydrophobicContact CD1-CZ3 4.45Å |
| 90 | Q | 89.3 | Confident | 86.7 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 29% | 0.285 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 140.8 | 177.2 | -63.9 | -177.9 | -10.5 | 0 | 0 | 110.6 | A82 L83 L88 K101 | A82-Q90 CarbonylContact C-O 3.46Å; A82-Q90 VanDerWaalsContact CA-O 3.31Å; A82-Q90 WeakPolarHBondContact CA-O 3.33Å; L83-Q90 HydrophobicContact CB-CB 4.45Å; L83-Q90 HydrophobicContact CD1-CB 4.08Å; L83-Q90 PolarHBondContact N-O 3.42Å; L83-Q90 PolarHBondContact O-N 3.49Å; L88-Q90 HydrophobicContact CG-CG 4.35Å; Q90-K101 CarbonylContact C-O 3.53Å; Q90-K101 WeakPolarHBondContact CA-O 3.4Å |
| 91 | I | 89.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127.7 | 167.4 | -57 | 179 | 0 | 0 | 0 | 106.9 | V80 M81 A82 M100 K101 I120 W131 M133 | V80-I91 HydrophobicContact CG1-CG2 3.46Å; V80-I91 VanDerWaalsContact CG1-CG2 3.46Å; M81-I91 WeakPolarHBondContact O-CA 3.46Å; A82-I91 HydrophobicContact CB-CG1 4.42Å; I91-M100 HydrophobicContact CB-CB 4.28Å; I91-M100 HydrophobicContact CG2-CB 4.14Å; I91-M100 HydrophobicContact CG2-CG 4.5Å; I91-M100 HydrophobicContact CG2-SD 4.06Å; I91-M100 PolarHBondContact O-N 3.14Å; I91-K101 HydrophobicContact CB-CB 4.42Å; I91-K101 HydrophobicContact CD1-CB 4.41Å; I91-K101 PolarHBondContact N-O 3.48Å; I91-K101 PolarHBondContact O-N 3.06Å; I91-I120 HydrophobicContact CD1-CD1 3.71Å; I91-I120 HydrophobicContact CG1-CD1 4.05Å; I91-W131 HydrophobicContact CD1-CD2 4.36Å; I91-W131 HydrophobicContact CD1-CE3 3.96Å; I91-W131 HydrophobicContact CD1-CH2 3.99Å; I91-W131 HydrophobicContact CD1-CZ2 4.37Å; I91-W131 HydrophobicContact CD1-CZ3 3.76Å; I91-W131 HydrophobicContact CG1-CE3 4.27Å; I91-W131 HydrophobicContact CG1-CH2 3.82Å; I91-W131 HydrophobicContact CG1-CZ3 3.6Å; I91-M133 HydrophobicContact CD1-CG 4.49Å |
| 92 | F | 87.7 | Confident | 86.6 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 25% | 0.25 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 128.6 | -175.3 | -168.5 | -90.5 | 0 | 0 | 0 | 110.4 | V80 M81 L83 K97 S98 K99 | V80-F92 WeakPolarHBondContact CA-O 3.36Å; M81-F92 HydrophobicContact CE-CD1 4.45Å; M81-F92 HydrophobicContact CG-CB 3.92Å; M81-F92 PolarHBondContact N-O 3.28Å; M81-F92 PolarHBondContact O-N 3.48Å; L83-F92 HydrophobicContact CD1-CB 3.81Å; F92-K97 WeakPolarHBondContact CZ-O 3.38Å; F92-S98 WeakPolarHBondContact CD2-O 3.42Å; F92-K99 HydrophobicContact CD2-CB 4.15Å |
| 93 | N | 87.5 | Confident | 86.7 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 119.4 | 173.2 | -172 | -43.8 | 0 | 0 | 0 | 109.2 | V80 E95 L96 K97 S98 M100 | V80-N93 HydrophobicContact CG2-CB 4.34Å; N93-E95 PolarHBondContact OD1-N 3.44Å; N93-L96 HydrophobicContact CB-CB 4.15Å; N93-L96 PolarHBondContact OD1-N 3.16Å; N93-K97 WeakPolarHBondContact O-CA 3.35Å; N93-K97 PolarHBondContact O-N 3.13Å; N93-S98 PolarHBondContact N-O 3.37Å; N93-S98 PolarHBondContact O-N 3.45Å; N93-S98 VanDerWaalsContact O-N 3.15Å; N93-M100 HydrophobicContact CB-CG 3.95Å; N93-M100 HydrophobicContact CB-SD 3.78Å |
| 94 | I | 83.5 | Confident | 86.8 | Confident | 20 Ų | 20 | 62.8 Ų | 62.8 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -41.8 | -174.4 | -57.8 | 171.8 | 0 | 0 | 0 | 111.1 | I53 M74 K79 M81 K97 | I53-I94 HydrophobicContact CD1-CD1 3.47Å; I53-I94 VanDerWaalsContact CD1-CD1 3.47Å; M74-I94 HydrophobicContact CE-CD1 3.71Å; M74-I94 HydrophobicContact SD-CD1 3.95Å; K79-I94 HydrophobicContact CB-CB 4.3Å; K79-I94 HydrophobicContact CB-CD1 4.42Å; K79-I94 VanDerWaalsContact O-CB 3.24Å; K79-I94 WeakPolarHBondContact O-CB 3.31Å; K79-I94 VanDerWaalsContact O-CG1 3.24Å; K79-I94 WeakPolarHBondContact O-CG1 3.25Å; K79-I94 PolarHBondContact O-N 2.87Å; M81-I94 HydrophobicContact CE-CD1 3.62Å; M81-I94 HydrophobicContact CE-CG1 3.45Å; M81-I94 VanDerWaalsContact CE-CG1 3.45Å; M81-I94 HydrophobicContact CG-CG1 4.48Å; I94-K97 PolarHBondContact O-N 3.32Å |
| 95 | E | 82.4 | Confident | 87.1 | Confident | 134 Ų | 134 | 61.8 Ų | 61.8 | 63% | 0.626 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -46.1 | -178.2 | -71.4 | 177 | 167.5 | 0 | 0 | 110.7 | K79 N93 K97 | K79-E95 HydrophobicContact CB-CG 4.03Å; K79-E95 HydrophobicContact CD-CG 4.13Å; K79-E95 WeakPolarHBondContact CD-OE1 3.4Å; N93-E95 PolarHBondContact OD1-N 3.44Å; E95-K97 PolarHBondContact O-N 2.99Å |
| 96 | L | 84.8 | Confident | 87.2 | Confident | 122 Ų | 122 | 63.6 Ų | 63.6 | 64% | 0.639 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -5.1 | 178.4 | -59.1 | -179.5 | 0 | 0 | 0 | 113.3 | N93 S98 | N93-L96 HydrophobicContact CB-CB 4.15Å; N93-L96 PolarHBondContact OD1-N 3.16Å; L96-S98 WeakPolarHBondContact CB-OG 3.48Å; L96-S98 PolarHBondContact O-N 3.09Å; L96-S98 VanDerWaalsContact O-N 3.09Å |
| 97 | K | 80.8 | Confident | 87.5 | Confident | 153 Ų | 153 | 65.2 Ų | 65.2 | 67% | 0.665 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 35.4 | -173.9 | -59.9 | 178.6 | -178.1 | 173.9 | 0 | 112.9 | F92 N93 I94 E95 | F92-K97 WeakPolarHBondContact CZ-O 3.38Å; N93-K97 WeakPolarHBondContact O-CA 3.35Å; N93-K97 PolarHBondContact O-N 3.13Å; I94-K97 PolarHBondContact O-N 3.32Å; E95-K97 PolarHBondContact O-N 2.99Å |
| 98 | S | 84.6 | Confident | 87.5 | Confident | 46 Ų | 46 | 65.2 Ų | 65.2 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 141.3 | -170.5 | 66.6 | 0 | 0 | 0 | 0 | 112.3 | F92 N93 L96 M100 | F92-S98 WeakPolarHBondContact CD2-O 3.42Å; N93-S98 PolarHBondContact N-O 3.37Å; N93-S98 PolarHBondContact O-N 3.45Å; N93-S98 VanDerWaalsContact O-N 3.15Å; L96-S98 WeakPolarHBondContact CB-OG 3.48Å; L96-S98 PolarHBondContact O-N 3.09Å; L96-S98 VanDerWaalsContact O-N 3.09Å; S98-M100 PolarHBondContact O-N 3.04Å |
| 99 | K | 84.2 | Confident | 87.5 | Confident | 120 Ų | 120 | 62.4 Ų | 62.4 | 52% | 0.522 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 116.4 | 171.9 | -174.4 | -177.2 | 71 | -178.6 | 0 | 108.4 | F92 | F92-K99 HydrophobicContact CD2-CB 4.15Å |
| 100 | M | 85.9 | Confident | 87.4 | Confident | 78 Ų | 78 | 66 Ų | 66 | 38% | 0.384 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -51.9 | -178.4 | -61 | -175.8 | 66.8 | 0 | 0 | 111.9 | V80 I91 N93 S98 M133 | V80-M100 HydrophobicContact CG1-SD 4.07Å; V80-M100 HydrophobicContact CG2-SD 4.24Å; I91-M100 HydrophobicContact CB-CB 4.28Å; I91-M100 HydrophobicContact CG2-CB 4.14Å; I91-M100 HydrophobicContact CG2-CG 4.5Å; I91-M100 HydrophobicContact CG2-SD 4.06Å; I91-M100 PolarHBondContact O-N 3.14Å; N93-M100 HydrophobicContact CB-CG 3.95Å; N93-M100 HydrophobicContact CB-SD 3.78Å; S98-M100 PolarHBondContact O-N 3.04Å; M100-M133 HydrophobicContact CE-CE 3.42Å; M100-M133 VanDerWaalsContact CE-CE 3.42Å; M100-M133 HydrophobicContact CE-CG 4.36Å; M100-M133 HydrophobicContact SD-CE 3.67Å |
| 101 | K | 88.3 | Confident | 87.4 | Confident | 29 Ų | 29 | 64.7 Ų | 64.7 | 13% | 0.126 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 151.3 | -177.9 | -64.1 | -178.6 | 77.8 | 169.6 | 0 | 110.9 | Q90 I91 W131 A132 M133 G135 S137 | Q90-K101 CarbonylContact C-O 3.53Å; Q90-K101 WeakPolarHBondContact CA-O 3.4Å; I91-K101 HydrophobicContact CB-CB 4.42Å; I91-K101 HydrophobicContact CD1-CB 4.41Å; I91-K101 PolarHBondContact N-O 3.48Å; I91-K101 PolarHBondContact O-N 3.06Å; K101-W131 HydrophobicContact CB-CH2 3.98Å; K101-W131 HydrophobicContact CB-CZ2 3.64Å; K101-W131 HydrophobicContact CD-CZ2 4.45Å; K101-A132 PolarHBondContact NZ-O 3.33Å; K101-M133 WeakPolarHBondContact CD-O 3.34Å; K101-G135 WeakPolarHBondContact CE-O 3.35Å; K101-G135 PolarHBondContact NZ-O 3.36Å; K101-S137 PolarHBondContact NZ-O 2.96Å |
| 102 | T | 89.4 | Confident | 87.5 | Confident | 68 Ų | 68 | 65.2 Ų | 65.2 | 42% | 0.417 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 139.7 | 174.3 | -168.4 | 0 | 0 | 0 | 0 | 109.4 | L89 | L89-T102 CarbonylContact O-C 3.58Å; L89-T102 VanDerWaalsContact O-CA 3.26Å; L89-T102 WeakPolarHBondContact O-CA 3.42Å |
| 103 | Y | 90.9 | Very high | 87.6 | Confident | 64 Ų | 64 | 64.3 Ų | 64.3 | 25% | 0.251 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 137 | 177.6 | -174.5 | -100.7 | 0 | 0 | 0 | 111 | L89 M105 N138 P139 | L89-Y103 PolarHBondContact N-O 3.01Å; L89-Y103 PolarHBondContact O-N 3.04Å; Y103-M105 HydrophobicContact CD1-CG 4.09Å; Y103-M105 HydrophobicContact CD1-SD 4.16Å; Y103-M105 HydrophobicContact CE1-CG 4.11Å; Y103-M105 HydrophobicContact CE1-SD 3.72Å; Y103-N138 HydrophobicContact CD2-CB 4.43Å; Y103-N138 HydrophobicContact CE2-CB 4.01Å; Y103-P139 HydrophobicContact CD1-CG 3.52Å; Y103-P139 HydrophobicContact CE1-CG 3.75Å; Y103-P139 HydrophobicContact CG-CG 4.05Å |
| 104 | T | 92.2 | Very high | 87.9 | Confident | 93 Ų | 93 | 63.7 Ų | 63.7 | 57% | 0.571 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 111.7 | 175.2 | -55 | 0 | 0 | 0 | 0 | 109.1 | K87 | K87-T104 HydrophobicContact CB-CG2 4.05Å; K87-T104 WeakPolarHBondContact O-CA 3.49Å |
| 105 | M | 92 | Very high | 88.2 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.02 | 33% | 0.329 | C | S | . | . | trans | -69.5 | 149.4 | 178.3 | -80.7 | -74.4 | -160.8 | 0 | 0 | 112 | K87 L89 Y103 E107 V109 L122 Y129 P139 | K87-M105 WeakPolarHBondContact CB-O 3.32Å; K87-M105 WeakPolarHBondContact CD-O 3.49Å; K87-M105 PolarHBondContact O-N 2.88Å; L89-M105 HydrophobicContact CD1-CE 3.97Å; L89-M105 HydrophobicContact CD1-CG 3.66Å; L89-M105 HydrophobicContact CG-CG 4.3Å; Y103-M105 HydrophobicContact CD1-CG 4.09Å; Y103-M105 HydrophobicContact CD1-SD 4.16Å; Y103-M105 HydrophobicContact CE1-CG 4.11Å; Y103-M105 HydrophobicContact CE1-SD 3.72Å; M105-E107 VanDerWaalsContact C-N 3.33Å; M105-E107 VanDerWaalsContact CB-O 3.24Å; M105-E107 WeakPolarHBondContact CB-O 3.49Å; M105-V109 HydrophobicContact CB-CG2 4.2Å; M105-V109 HydrophobicContact CE-CG2 4.34Å; M105-V109 HydrophobicContact CG-CG2 3.69Å; M105-L122 HydrophobicContact CE-CB 3.9Å; M105-L122 HydrophobicContact CE-CD1 3.36Å; M105-L122 HydrophobicContact CE-CG 4.26Å; M105-Y129 HydrophobicContact CE-CD2 4.27Å; M105-Y129 HydrophobicContact CE-CG 4.12Å; M105-P139 HydrophobicContact CE-CB 3.45Å; M105-P139 VanDerWaalsContact CE-CB 3.45Å; M105-P139 HydrophobicContact CE-CG 3.66Å; M105-P139 HydrophobicContact SD-CB 4.38Å; M105-P139 HydrophobicContact SD-CG 4.41Å | ||
| 106 | P | 88.5 | Confident | 88.4 | Confident | 82 Ų | 82 | 59.2 Ų | 59.2 | 53% | 0.532 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -68 | -35.7 | 175.2 | 26.2 | -32.6 | 0 | 0 | 0 | 112.2 | K87 | K87-P106 PolarHBondContact NZ-O 2.78Š|
| 107 | E | 88.4 | Confident | 88.6 | Confident | 62 Ų | 62 | 56.2 Ų | 56.2 | 29% | 0.29 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -115.8 | 158.1 | 178.8 | -64.5 | 179.9 | -176.1 | 0 | 0 | 110.7 | M105 V109 T124 T126 | M105-E107 VanDerWaalsContact C-N 3.33Å; M105-E107 VanDerWaalsContact CB-O 3.24Å; M105-E107 WeakPolarHBondContact CB-O 3.49Å; E107-V109 PolarHBondContact O-N 3.42Å; E107-T124 HydrophobicContact CB-CG2 4.05Å; E107-T124 WeakPolarHBondContact OE2-CB 2.98Å; E107-T124 PolarHBondContact OE2-OG1 3.47Å; E107-T126 VanDerWaalsContact CD-OG1 3.22Å; E107-T126 WeakPolarHBondContact OE1-CG2 3.23Å; E107-T126 PolarHBondContact OE1-OG1 3.32Å; E107-T126 PolarHBondContact OE2-N 2.89Å; E107-T126 PolarHBondContact OE2-OG1 3.48Å |
| 108 | D | 87.7 | Confident | 89 | Confident | 90 Ų | 90 | 52.1 Ų | 52.1 | 48% | 0.481 | 28% | 0.281 | S | S | . | . | trans | -67 | 128.7 | 173.7 | -64.1 | -42.6 | 0 | 0 | 0 | 110.7 | K87 V110 T124 | K87-D108 WeakPolarHBondContact CE-OD1 3.33Å; K87-D108 WeakPolarHBondContact CG-OD1 3.31Å; D108-V110 PolarHBondContact O-N 3.21Å; D108-T124 WeakPolarHBondContact O-CA 3.47Å | ||
| 109 | V | 89.2 | Confident | 89.3 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 109.4 | 174.9 | 176.5 | 0 | 0 | 0 | 0 | 108.6 | K84 L89 M105 E107 F111 C112 L122 V123 T124 | K84-V109 HydrophobicContact CD-CB 4.11Å; K84-V109 HydrophobicContact CD-CG1 4.48Å; K84-V109 WeakPolarHBondContact CD-O 3.46Å; K84-V109 WeakPolarHBondContact CE-O 3.27Å; K84-V109 PolarHBondContact NZ-O 2.91Å; L89-V109 HydrophobicContact CD1-CG2 4.28Å; L89-V109 HydrophobicContact CD2-CG2 4.24Å; M105-V109 HydrophobicContact CB-CG2 4.2Å; M105-V109 HydrophobicContact CE-CG2 4.34Å; M105-V109 HydrophobicContact CG-CG2 3.69Å; E107-V109 PolarHBondContact O-N 3.42Å; V109-F111 WeakPolarHBondContact CG1-O 3.12Å; V109-C112 HydrophobicContact CG1-CB 4.33Å; V109-L122 HydrophobicContact CG1-CB 4.26Å; V109-L122 HydrophobicContact CG1-CD2 4.27Å; V109-V123 CarbonylContact C-O 3.52Å; V109-V123 WeakPolarHBondContact CA-O 3.46Å; V109-T124 HydrophobicContact CG2-CG2 4.35Å |
| 110 | V | 88.5 | Confident | 89.7 | Confident | 79 Ų | 79 | 45.2 Ų | 45.2 | 48% | 0.479 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -25.7 | -179.2 | -62 | 0 | 0 | 0 | 0 | 113.4 | D108 V123 I154 | D108-V110 PolarHBondContact O-N 3.21Å; V110-V123 HydrophobicContact CG2-CB 4.33Å; V110-V123 HydrophobicContact CG2-CG1 4.03Å; V110-V123 VanDerWaalsContact CG2-O 3.29Å; V110-V123 WeakPolarHBondContact CG2-O 3.38Å; V110-V123 PolarHBondContact N-O 3.46Å; V110-I154 HydrophobicContact CG2-CG1 4.37Å |
| 111 | F | 89.9 | Confident | 90 | Very high | 34 Ų | 34 | 41.5 Ų | 41.5 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 140.9 | -179 | -178 | -94.5 | 0 | 0 | 0 | 110.5 | V109 K113 V123 I154 | V109-F111 WeakPolarHBondContact CG1-O 3.12Å; F111-K113 HydrophobicContact CE1-CB 3.72Å; F111-K113 HydrophobicContact CE1-CD 4.41Å; F111-K113 HydrophobicContact CZ-CB 4.17Å; F111-K113 HydrophobicContact CZ-CD 4.35Å; F111-V123 HydrophobicContact CB-CB 4.13Å; F111-V123 HydrophobicContact CB-CG2 4.39Å; F111-V123 HydrophobicContact CD1-CG2 4.15Å; F111-V123 PolarHBondContact N-O 2.95Å; F111-V123 PolarHBondContact O-N 3.47Å; F111-I154 HydrophobicContact CB-CB 3.95Å; F111-I154 HydrophobicContact CB-CG2 3.72Å; F111-I154 HydrophobicContact CD1-CG2 3.77Å; F111-I154 HydrophobicContact CD2-CG2 4.17Å; F111-I154 HydrophobicContact CE1-CG2 4.43Å; F111-I154 HydrophobicContact CG-CB 4.25Å; F111-I154 HydrophobicContact CG-CG2 3.62Å |
| 112 | C | 91 | Very high | 90.3 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 148.8 | 173.4 | 60.3 | 0 | 0 | 0 | 0 | 110.9 | I73 V109 I120 A121 L122 | I73-C112 HydrophobicContact CD1-CB 4.15Å; V109-C112 HydrophobicContact CG1-CB 4.33Å; C112-I120 HydrophobicContact CB-CG2 4.44Å; C112-A121 CarbonylContact C-O 3.51Å; C112-A121 WeakPolarHBondContact CA-O 3.39Å; C112-L122 HydrophobicContact CB-CD2 3.73Å |
| 113 | K | 91.2 | Very high | 90.4 | Very high | 39 Ų | 39 | 37.1 Ų | 37.1 | 17% | 0.17 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 147.5 | -179 | -167.6 | 174.3 | 176.7 | 168.7 | 0 | 111.8 | E34 F111 I120 A121 Y157 | E34-K113 WeakPolarHBondContact OE2-CE 3.5Å; E34-K113 WeakPolarHBondContact OE2-CG 3.48Å; F111-K113 HydrophobicContact CE1-CB 3.72Å; F111-K113 HydrophobicContact CE1-CD 4.41Å; F111-K113 HydrophobicContact CZ-CB 4.17Å; F111-K113 HydrophobicContact CZ-CD 4.35Å; K113-I120 CarbonylContact O-C 3.6Å; K113-I120 WeakPolarHBondContact O-CA 3.29Å; K113-A121 PolarHBondContact N-O 3.04Å; K113-A121 PolarHBondContact O-N 3.05Å; K113-Y157 WeakPolarHBondContact CD-O 3.49Å |
| 114 | W | 92.1 | Very high | 90.5 | Very high | 9 Ų | 9 | 34 Ų | 34 | 3% | 0.034 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 125.8 | 168.8 | -72.1 | 94.4 | 0 | 0 | 0 | 110 | E34 I73 M74 N75 P76 A82 I120 M133 | E34-W114 HydrophobicContact CG-CB 4.5Å; E34-W114 PolarHBondContact OE2-N 3.09Å; E34-W114 VanDerWaalsContact OE2-N 3.13Å; I73-W114 HydrophobicContact CD1-CG 4.35Å; M74-W114 PolarHBondContact O-NE1 3.39Å; N75-W114 HydrophobicContact CB-CH2 4.47Å; N75-W114 HydrophobicContact CB-CZ2 4.09Å; N75-W114 WeakPolarHBondContact ND2-CH2 3.41Å; N75-W114 WeakPolarHBondContact ND2-CZ3 3.3Å; P76-W114 HydrophobicContact CG-CB 3.8Å; P76-W114 HydrophobicContact CG-CG 4.37Å; A82-W114 HydrophobicContact CB-CZ2 4.17Å; W114-I120 HydrophobicContact CD2-CG1 3.67Å; W114-I120 HydrophobicContact CE3-CG1 3.56Å; W114-I120 HydrophobicContact CG-CG1 4.49Å; W114-I120 HydrophobicContact CH2-CD1 3.7Å; W114-I120 HydrophobicContact CH2-CG1 3.61Å; W114-I120 HydrophobicContact CZ2-CD1 3.65Å; W114-I120 HydrophobicContact CZ2-CG1 3.71Å; W114-I120 HydrophobicContact CZ3-CD1 4.15Å; W114-I120 HydrophobicContact CZ3-CG1 3.54Å; W114-M133 HydrophobicContact CH2-CB 4.34Å; W114-M133 HydrophobicContact CH2-CG 4.42Å; W114-M133 HydrophobicContact CH2-SD 3.67Å; W114-M133 HydrophobicContact CZ3-CB 4.34Å; W114-M133 HydrophobicContact CZ3-SD 4.11Å |
| 115 | I | 89.7 | Confident | 90.2 | Very high | 28 Ų | 28 | 31.6 Ų | 31.6 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -19.2 | 176.5 | 59.9 | 169.8 | 0 | 0 | 0 | 112.6 | T119 A121 H130 Y157 | I115-T119 HydrophobicContact CD1-CG2 3.81Å; I115-T119 HydrophobicContact CG1-CG2 3.98Å; I115-T119 WeakPolarHBondContact CG1-O 3.45Å; I115-T119 PolarHBondContact N-O 3.19Å; I115-A121 HydrophobicContact CG2-CB 3.7Å; I115-H130 WeakPolarHBondContact CD1-CE1 3.27Å; I115-Y157 HydrophobicContact CG2-CD1 3.53Å; I115-Y157 HydrophobicContact CG2-CE1 3.81Å |
| 116 | S | 88.1 | Confident | 90.1 | Very high | 31 Ų | 31 | 34.5 Ų | 34.5 | 22% | 0.217 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 176.5 | 171.7 | 76.8 | 0 | 0 | 0 | 0 | 108.3 | N118 T119 | S116-N118 PolarHBondContact O-N 3.41Å; S116-N118 PolarHBondContact OG-N 3.23Å; S116-N118 VanDerWaalsContact OG-N 3.09Å; S116-T119 PolarHBondContact N-O 3.15Å; S116-T119 WeakPolarHBondContact OG-CB 3.46Å; S116-T119 PolarHBondContact OG-N 3.46Å; S116-T119 PolarHBondContact OG-OG1 3.15Å |
| 117 | V | 87.7 | Confident | 90.3 | Very high | 60 Ų | 60 | 30.6 Ų | 30.6 | 36% | 0.364 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21.2 | 172.8 | -173.4 | 0 | 0 | 0 | 0 | 111.9 | N75 V77 | N75-V117 PolarHBondContact ND2-O 2.65Å; V77-V117 HydrophobicContact CB-CG1 4.24Å; V77-V117 HydrophobicContact CB-CG2 4.38Å; V77-V117 HydrophobicContact CG2-CG1 4.43Å; V77-V117 HydrophobicContact CG2-CG2 3.69Å |
| 118 | N | 89.1 | Confident | 90.6 | Very high | 67 Ų | 67 | 27.7 Ų | 27.7 | 36% | 0.358 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 3.3 | -171.8 | -61 | 14.1 | 0 | 0 | 0 | 113.1 | S116 A132 M133 D134 | S116-N118 PolarHBondContact O-N 3.41Å; S116-N118 PolarHBondContact OG-N 3.23Å; S116-N118 VanDerWaalsContact OG-N 3.09Å; N118-A132 CarbonylContact O-C 3.53Å; N118-A132 WeakPolarHBondContact O-CA 3.02Å; N118-M133 WeakPolarHBondContact O-CB 3.36Å; N118-M133 PolarHBondContact O-N 3.22Å; N118-D134 PolarHBondContact ND2-OD2 3.48Å |
| 119 | T | 91 | Very high | 90.9 | Very high | 20 Ų | 20 | 24.9 Ų | 24.9 | 12% | 0.123 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 130 | -172.3 | -44.8 | 0 | 0 | 0 | 0 | 112.4 | I115 S116 H130 W131 | I115-T119 HydrophobicContact CD1-CG2 3.81Å; I115-T119 HydrophobicContact CG1-CG2 3.98Å; I115-T119 WeakPolarHBondContact CG1-O 3.45Å; I115-T119 PolarHBondContact N-O 3.19Å; S116-T119 PolarHBondContact N-O 3.15Å; S116-T119 WeakPolarHBondContact OG-CB 3.46Å; S116-T119 PolarHBondContact OG-N 3.46Å; S116-T119 PolarHBondContact OG-OG1 3.15Å; T119-H130 HydrophobicContact CG2-CB 3.98Å; T119-W131 WeakPolarHBondContact CA-O 3.38Å |
| 120 | I | 92.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.9 | 176.2 | -54.7 | 165.8 | 0 | 0 | 0 | 108.6 | I73 A82 I91 C112 K113 W114 L122 H130 W131 | I73-I120 HydrophobicContact CD1-CG2 4.01Å; A82-I120 HydrophobicContact CB-CD1 3.58Å; I91-I120 HydrophobicContact CD1-CD1 3.71Å; I91-I120 HydrophobicContact CG1-CD1 4.05Å; C112-I120 HydrophobicContact CB-CG2 4.44Å; K113-I120 CarbonylContact O-C 3.6Å; K113-I120 WeakPolarHBondContact O-CA 3.29Å; W114-I120 HydrophobicContact CD2-CG1 3.67Å; W114-I120 HydrophobicContact CE3-CG1 3.56Å; W114-I120 HydrophobicContact CG-CG1 4.49Å; W114-I120 HydrophobicContact CH2-CD1 3.7Å; W114-I120 HydrophobicContact CH2-CG1 3.61Å; W114-I120 HydrophobicContact CZ2-CD1 3.65Å; W114-I120 HydrophobicContact CZ2-CG1 3.71Å; W114-I120 HydrophobicContact CZ3-CD1 4.15Å; W114-I120 HydrophobicContact CZ3-CG1 3.54Å; I120-L122 HydrophobicContact CG2-CD2 3.68Å; I120-L122 HydrophobicContact CG2-CG 4.14Å; I120-H130 CarbonylContact O-C 3.55Å; I120-H130 WeakPolarHBondContact O-CA 3.44Å; I120-W131 HydrophobicContact CD1-CE3 4.14Å; I120-W131 PolarHBondContact N-O 2.82Å; I120-W131 PolarHBondContact O-N 3.49Å |
| 121 | A | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 133.4 | 166 | 0 | 0 | 0 | 0 | 0 | 110.1 | C112 K113 I115 Y129 Y157 | C112-A121 CarbonylContact C-O 3.51Å; C112-A121 WeakPolarHBondContact CA-O 3.39Å; K113-A121 PolarHBondContact N-O 3.04Å; K113-A121 PolarHBondContact O-N 3.05Å; I115-A121 HydrophobicContact CG2-CB 3.7Å; A121-Y129 CarbonylContact C-O 3.56Å; A121-Y129 WeakPolarHBondContact CA-O 3.47Å; A121-Y157 HydrophobicContact CB-CD1 3.24Å; A121-Y157 HydrophobicContact CB-CE1 3.4Å; A121-Y157 VanDerWaalsContact CB-CE1 3.4Å; A121-Y157 HydrophobicContact CB-CG 4.01Å |
| 122 | L | 93.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 119.3 | -176.8 | -56.5 | 167.6 | 0 | 0 | 0 | 108.2 | L89 M105 V109 C112 I120 V128 Y129 W131 P139 | L89-L122 HydrophobicContact CD1-CD1 3.49Å; L89-L122 VanDerWaalsContact CD1-CD1 3.49Å; L89-L122 HydrophobicContact CD1-CD2 3.96Å; L89-L122 HydrophobicContact CD1-CG 4.33Å; L89-L122 HydrophobicContact CD2-CD2 4.41Å; M105-L122 HydrophobicContact CE-CB 3.9Å; M105-L122 HydrophobicContact CE-CD1 3.36Å; M105-L122 HydrophobicContact CE-CG 4.26Å; V109-L122 HydrophobicContact CG1-CB 4.26Å; V109-L122 HydrophobicContact CG1-CD2 4.27Å; C112-L122 HydrophobicContact CB-CD2 3.73Å; I120-L122 HydrophobicContact CG2-CD2 3.68Å; I120-L122 HydrophobicContact CG2-CG 4.14Å; L122-V128 CarbonylContact O-C 3.59Å; L122-Y129 PolarHBondContact N-O 3.33Å; L122-Y129 PolarHBondContact O-N 3.28Å; L122-W131 HydrophobicContact CD1-CB 3.71Å; L122-W131 HydrophobicContact CD1-CD2 4.46Å; L122-W131 HydrophobicContact CD1-CE3 4.17Å; L122-W131 HydrophobicContact CD1-CG 4.34Å; L122-P139 HydrophobicContact CD1-CB 4.11Å; L122-P139 HydrophobicContact CD1-CG 4.05Å |
| 123 | V | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 122.2 | -176.8 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | V109 V110 F111 V128 I154 L168 | V109-V123 CarbonylContact C-O 3.52Å; V109-V123 WeakPolarHBondContact CA-O 3.46Å; V110-V123 HydrophobicContact CG2-CB 4.33Å; V110-V123 HydrophobicContact CG2-CG1 4.03Å; V110-V123 VanDerWaalsContact CG2-O 3.29Å; V110-V123 WeakPolarHBondContact CG2-O 3.38Å; V110-V123 PolarHBondContact N-O 3.46Å; F111-V123 HydrophobicContact CB-CB 4.13Å; F111-V123 HydrophobicContact CB-CG2 4.39Å; F111-V123 HydrophobicContact CD1-CG2 4.15Å; F111-V123 PolarHBondContact N-O 2.95Å; F111-V123 PolarHBondContact O-N 3.47Å; V123-V128 HydrophobicContact CG1-CG2 4.21Å; V123-V128 HydrophobicContact CG2-CG1 4.31Å; V123-V128 HydrophobicContact CG2-CG2 4.22Å; V123-I154 HydrophobicContact CG1-CG1 4.19Å; V123-L168 HydrophobicContact CG1-CD1 4.05Å; V123-L168 HydrophobicContact CG1-CD2 4.26Å; V123-L168 HydrophobicContact CG2-CD1 3.77Å |
| 124 | T | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -177.1 | 173.3 | 72.9 | 0 | 0 | 0 | 0 | 110.8 | E107 D108 V109 T126 S127 Y129 R145 | E107-T124 HydrophobicContact CB-CG2 4.05Å; E107-T124 WeakPolarHBondContact OE2-CB 2.98Å; E107-T124 PolarHBondContact OE2-OG1 3.47Å; D108-T124 WeakPolarHBondContact O-CA 3.47Å; V109-T124 HydrophobicContact CG2-CG2 4.35Å; T124-T126 PolarHBondContact O-N 2.96Å; T124-T126 PolarHBondContact OG1-N 3.32Å; T124-S127 PolarHBondContact N-O 2.85Å; T124-S127 PolarHBondContact OG1-N 3.12Å; T124-S127 PolarHBondContact OG1-O 3.15Å; T124-Y129 HydrophobicContact CG2-CD2 4.03Å; T124-Y129 HydrophobicContact CG2-CE2 3.68Å; T124-R145 WeakPolarHBondContact O-CD 3.32Å; T124-R145 PolarHBondContact O-NH1 3.24Å |
| 125 | G | 86.9 | Confident | 89.9 | Confident | 41 Ų | 41 | 27.6 Ų | 27.6 | 42% | 0.423 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -56.4 | -34.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R145 | G125-R145 WeakPolarHBondContact O-CD 3.41Å; G125-R145 PolarHBondContact O-NH1 3.47Å |
| 126 | T | 89.5 | Confident | 89.3 | Confident | 65 Ų | 65 | 35.4 Ų | 35.4 | 40% | 0.399 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -113.5 | -27.1 | -172.5 | 67.2 | 0 | 0 | 0 | 0 | 114.7 | E107 T124 R145 | E107-T126 VanDerWaalsContact CD-OG1 3.22Å; E107-T126 WeakPolarHBondContact OE1-CG2 3.23Å; E107-T126 PolarHBondContact OE1-OG1 3.32Å; E107-T126 PolarHBondContact OE2-N 2.89Å; E107-T126 PolarHBondContact OE2-OG1 3.48Å; T124-T126 PolarHBondContact O-N 2.96Å; T124-T126 PolarHBondContact OG1-N 3.32Å; T126-R145 WeakPolarHBondContact O-CB 3.43Å; T126-R145 PolarHBondContact O-N 2.92Å |
| 127 | S | 93.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 162.2 | -165.3 | -68.1 | 0 | 0 | 0 | 0 | 113.1 | T124 Y129 K141 D144 | T124-S127 PolarHBondContact N-O 2.85Å; T124-S127 PolarHBondContact OG1-N 3.12Å; T124-S127 PolarHBondContact OG1-O 3.15Å; S127-Y129 VanDerWaalsContact CB-CE2 3.42Å; S127-K141 WeakPolarHBondContact OG-CE 3.47Å; S127-K141 PolarHBondContact OG-NZ 3.18Å; S127-D144 PolarHBondContact OG-OD1 2.84Å |
| 128 | V | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.8 | 170.6 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | L122 V123 M142 F143 R145 Y157 L168 | L122-V128 CarbonylContact O-C 3.59Å; V123-V128 HydrophobicContact CG1-CG2 4.21Å; V123-V128 HydrophobicContact CG2-CG1 4.31Å; V123-V128 HydrophobicContact CG2-CG2 4.22Å; V128-M142 PolarHBondContact O-N 3.35Å; V128-F143 HydrophobicContact CB-CD1 4.46Å; V128-F143 HydrophobicContact CB-CE1 4.17Å; V128-F143 HydrophobicContact CB-CE2 4.24Å; V128-F143 HydrophobicContact CB-CZ 4.07Å; V128-F143 HydrophobicContact CG1-CE1 4.37Å; V128-F143 HydrophobicContact CG1-CZ 4.43Å; V128-F143 HydrophobicContact CG2-CD2 4.27Å; V128-F143 HydrophobicContact CG2-CE1 4.35Å; V128-F143 HydrophobicContact CG2-CE2 3.67Å; V128-F143 HydrophobicContact CG2-CZ 3.74Å; V128-F143 PolarHBondContact N-O 2.85Å; V128-R145 HydrophobicContact CG2-CG 4.38Å; V128-Y157 HydrophobicContact CG1-CD2 4.36Å; V128-Y157 HydrophobicContact CG1-CE2 3.63Å; V128-Y157 HydrophobicContact CG2-CE2 4.49Å; V128-L168 HydrophobicContact CG2-CD2 3.88Å |
| 129 | Y | 94.9 | Very high | 89.2 | Confident | 32 Ų | 32 | 35.8 Ų | 35.8 | 13% | 0.125 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 149.7 | 179.9 | -57.4 | -102.1 | 0 | 0 | 0 | 110.5 | M105 A121 L122 T124 S127 V140 K141 | M105-Y129 HydrophobicContact CE-CD2 4.27Å; M105-Y129 HydrophobicContact CE-CG 4.12Å; A121-Y129 CarbonylContact C-O 3.56Å; A121-Y129 WeakPolarHBondContact CA-O 3.47Å; L122-Y129 PolarHBondContact N-O 3.33Å; L122-Y129 PolarHBondContact O-N 3.28Å; T124-Y129 HydrophobicContact CG2-CD2 4.03Å; T124-Y129 HydrophobicContact CG2-CE2 3.68Å; S127-Y129 VanDerWaalsContact CB-CE2 3.42Å; Y129-V140 CarbonylContact C-O 3.58Å; Y129-V140 WeakPolarHBondContact CA-O 3.41Å; Y129-V140 WeakPolarHBondContact CB-O 3.3Å; Y129-K141 VanDerWaalsContact CD1-CA 3.43Å; Y129-K141 HydrophobicContact CD1-CB 3.75Å; Y129-K141 HydrophobicContact CD1-CG 4.39Å; Y129-K141 HydrophobicContact CE1-CB 3.54Å; Y129-K141 HydrophobicContact CE1-CD 4.42Å; Y129-K141 HydrophobicContact CE1-CG 3.98Å |
| 130 | H | 94.3 | Very high | 89.2 | Confident | 17 Ų | 17 | 38.9 Ų | 38.9 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.9 | 167 | -73.2 | -177.4 | 0 | 0 | 0 | 109.5 | I115 T119 I120 P139 V140 M142 Y157 | I115-H130 WeakPolarHBondContact CD1-CE1 3.27Å; T119-H130 HydrophobicContact CG2-CB 3.98Å; I120-H130 CarbonylContact O-C 3.55Å; I120-H130 WeakPolarHBondContact O-CA 3.44Å; H130-P139 WeakPolarHBondContact O-CA 3.47Å; H130-V140 PolarHBondContact N-O 3.46Å; H130-V140 PolarHBondContact O-N 3.28Å; H130-M142 HydrophobicContact CB-CG 4.05Å; H130-M142 HydrophobicContact CB-SD 4.2Å; H130-Y157 AromaticContact NE2-CE1 3.45Å; H130-Y157 WeakPolarHBondContact NE2-CE1 3.28Å; H130-Y157 AromaticContact NE2-CZ 3.54Å; H130-Y157 PolarHBondContact NE2-OH 2.93Å |
| 131 | W | 93.5 | Very high | 89.3 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 2% | 0.019 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 109.2 | 179.2 | -169.3 | 32 | 0 | 0 | 0 | 109.6 | L89 I91 K101 T119 I120 L122 S137 P139 | L89-W131 HydrophobicContact CB-CH2 4.2Å; L89-W131 HydrophobicContact CB-CZ3 3.84Å; L89-W131 HydrophobicContact CD1-CE3 4.5Å; L89-W131 HydrophobicContact CD1-CZ3 4.45Å; I91-W131 HydrophobicContact CD1-CD2 4.36Å; I91-W131 HydrophobicContact CD1-CE3 3.96Å; I91-W131 HydrophobicContact CD1-CH2 3.99Å; I91-W131 HydrophobicContact CD1-CZ2 4.37Å; I91-W131 HydrophobicContact CD1-CZ3 3.76Å; I91-W131 HydrophobicContact CG1-CE3 4.27Å; I91-W131 HydrophobicContact CG1-CH2 3.82Å; I91-W131 HydrophobicContact CG1-CZ3 3.6Å; K101-W131 HydrophobicContact CB-CH2 3.98Å; K101-W131 HydrophobicContact CB-CZ2 3.64Å; K101-W131 HydrophobicContact CD-CZ2 4.45Å; T119-W131 WeakPolarHBondContact CA-O 3.38Å; I120-W131 HydrophobicContact CD1-CE3 4.14Å; I120-W131 PolarHBondContact N-O 2.82Å; I120-W131 PolarHBondContact O-N 3.49Å; L122-W131 HydrophobicContact CD1-CB 3.71Å; L122-W131 HydrophobicContact CD1-CD2 4.46Å; L122-W131 HydrophobicContact CD1-CE3 4.17Å; L122-W131 HydrophobicContact CD1-CG 4.34Å; W131-S137 PolarHBondContact NE1-O 3.24Å; W131-P139 HydrophobicContact CB-CB 4.25Å; W131-P139 HydrophobicContact CB-CG 4.15Å; W131-P139 HydrophobicContact CD2-CG 4.13Å; W131-P139 HydrophobicContact CG-CB 4.36Å; W131-P139 HydrophobicContact CG-CG 3.79Å |
| 132 | A | 90.2 | Very high | 89.3 | Confident | 32 Ų | 32 | 45.5 Ų | 45.5 | 26% | 0.264 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 135.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | K101 N118 D134 | K101-A132 PolarHBondContact NZ-O 3.33Å; N118-A132 CarbonylContact O-C 3.53Å; N118-A132 WeakPolarHBondContact O-CA 3.02Å; A132-D134 VanDerWaalsContact C-N 3.28Å |
| 133 | M | 84.1 | Confident | 89.4 | Confident | 25 Ų | 25 | 45.7 Ų | 45.7 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -69.3 | -31.8 | 173.5 | -177.4 | 173 | 159.9 | 0 | 0 | 111 | V80 I91 M100 K101 W114 N118 | V80-M133 HydrophobicContact CB-CE 4.19Å; V80-M133 HydrophobicContact CG1-CE 3.82Å; V80-M133 HydrophobicContact CG1-SD 4.2Å; V80-M133 HydrophobicContact CG2-CE 3.78Å; I91-M133 HydrophobicContact CD1-CG 4.49Å; M100-M133 HydrophobicContact CE-CE 3.42Å; M100-M133 VanDerWaalsContact CE-CE 3.42Å; M100-M133 HydrophobicContact CE-CG 4.36Å; M100-M133 HydrophobicContact SD-CE 3.67Å; K101-M133 WeakPolarHBondContact CD-O 3.34Å; W114-M133 HydrophobicContact CH2-CB 4.34Å; W114-M133 HydrophobicContact CH2-CG 4.42Å; W114-M133 HydrophobicContact CH2-SD 3.67Å; W114-M133 HydrophobicContact CZ3-CB 4.34Å; W114-M133 HydrophobicContact CZ3-SD 4.11Å; N118-M133 WeakPolarHBondContact O-CB 3.36Å; N118-M133 PolarHBondContact O-N 3.22Å |
| 134 | D | 81 | Confident | 89.4 | Confident | 91 Ų | 91 | 50 Ų | 50 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -79.1 | 142.3 | -178.7 | -51.3 | -34.3 | 0 | 0 | 0 | 111.5 | N118 A132 | N118-D134 PolarHBondContact ND2-OD2 3.48Å; A132-D134 VanDerWaalsContact C-N 3.28Å |
| 135 | G | 78.5 | Confident | 89.4 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 62% | 0.619 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | -170.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | K101 | K101-G135 WeakPolarHBondContact CE-O 3.35Å; K101-G135 PolarHBondContact NZ-O 3.36Å |
| 136 | E | 76.5 | Confident | 89.7 | Confident | 191 Ų | 191 | 53.3 Ų | 53.3 | 89% | 0.893 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 12.2 | -179.5 | -64 | -168.4 | 162.9 | 0 | 0 | 113.7 | N138 | E136-N138 PolarHBondContact O-N 3.41Š|
| 137 | S | 80 | Confident | 89.6 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 36% | 0.357 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 132.2 | -174.6 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | K101 W131 | K101-S137 PolarHBondContact NZ-O 2.96Å; W131-S137 PolarHBondContact NE1-O 3.24Å |
| 138 | N | 89.5 | Confident | 89.3 | Confident | 101 Ų | 101 | 60.1 Ų | 60.1 | 54% | 0.54 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 160.7 | 169.8 | -67.7 | -27.9 | 0 | 0 | 0 | 111.2 | Y103 E136 V140 | Y103-N138 HydrophobicContact CD2-CB 4.43Å; Y103-N138 HydrophobicContact CE2-CB 4.01Å; E136-N138 PolarHBondContact O-N 3.41Å; N138-V140 PolarHBondContact O-N 3.03Å |
| 139 | P | 92 | Very high | 89 | Confident | 15 Ų | 15 | 60.1 Ų | 60.1 | 10% | 0.097 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 126.2 | 174.2 | -26.3 | 35.3 | 0 | 0 | 0 | 112.8 | Y103 M105 L122 H130 W131 | Y103-P139 HydrophobicContact CD1-CG 3.52Å; Y103-P139 HydrophobicContact CE1-CG 3.75Å; Y103-P139 HydrophobicContact CG-CG 4.05Å; M105-P139 HydrophobicContact CE-CB 3.45Å; M105-P139 VanDerWaalsContact CE-CB 3.45Å; M105-P139 HydrophobicContact CE-CG 3.66Å; M105-P139 HydrophobicContact SD-CB 4.38Å; M105-P139 HydrophobicContact SD-CG 4.41Å; L122-P139 HydrophobicContact CD1-CB 4.11Å; L122-P139 HydrophobicContact CD1-CG 4.05Å; H130-P139 WeakPolarHBondContact O-CA 3.47Å; W131-P139 HydrophobicContact CB-CB 4.25Å; W131-P139 HydrophobicContact CB-CG 4.15Å; W131-P139 HydrophobicContact CD2-CG 4.13Å; W131-P139 HydrophobicContact CG-CB 4.36Å; W131-P139 HydrophobicContact CG-CG 3.79Å |
| 140 | V | 92.4 | Very high | 88.5 | Confident | 85 Ų | 85 | 62.3 Ų | 62.3 | 52% | 0.515 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 127.4 | -177.2 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | Y129 H130 N138 M142 | Y129-V140 CarbonylContact C-O 3.58Å; Y129-V140 WeakPolarHBondContact CA-O 3.41Å; Y129-V140 WeakPolarHBondContact CB-O 3.3Å; H130-V140 PolarHBondContact N-O 3.46Å; H130-V140 PolarHBondContact O-N 3.28Å; N138-V140 PolarHBondContact O-N 3.03Å; V140-M142 PolarHBondContact O-N 3.29Å |
| 141 | K | 93.9 | Very high | 87.8 | Confident | 96 Ų | 96 | 66.2 Ų | 66.2 | 42% | 0.417 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 127.1 | 176.7 | -173 | 175.6 | 172.1 | 174.3 | 0 | 110.3 | S127 Y129 D144 | S127-K141 WeakPolarHBondContact OG-CE 3.47Å; S127-K141 PolarHBondContact OG-NZ 3.18Å; Y129-K141 VanDerWaalsContact CD1-CA 3.43Å; Y129-K141 HydrophobicContact CD1-CB 3.75Å; Y129-K141 HydrophobicContact CD1-CG 4.39Å; Y129-K141 HydrophobicContact CE1-CB 3.54Å; Y129-K141 HydrophobicContact CE1-CD 4.42Å; Y129-K141 HydrophobicContact CE1-CG 3.98Å; K141-D144 WeakPolarHBondContact CE-OD1 3.41Å; K141-D144 VanDerWaalsContact NZ-CG 3.26Å; K141-D144 IonicContact NZ-OD1 3.69Å; K141-D144 PolarHBondContact NZ-OD1 2.75Å; K141-D144 IonicContact NZ-OD2 3.15Å; K141-D144 PolarHBondContact NZ-OD2 3.07Å |
| 142 | M | 93.6 | Very high | 87.5 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 21% | 0.212 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -53 | 177.5 | -60.6 | -53.7 | -71.2 | 0 | 0 | 111.8 | V128 H130 V140 L166 Y185 V187 | V128-M142 PolarHBondContact O-N 3.35Å; H130-M142 HydrophobicContact CB-CG 4.05Å; H130-M142 HydrophobicContact CB-SD 4.2Å; V140-M142 PolarHBondContact O-N 3.29Å; M142-L166 HydrophobicContact CB-CD1 4.06Å; M142-L166 HydrophobicContact CE-CD1 3.76Å; M142-L166 HydrophobicContact CG-CD1 4.29Å; M142-Y185 PolarHBondContact O-OH 2.96Å; M142-V187 HydrophobicContact CE-CG1 4.47Å; M142-V187 HydrophobicContact CE-CG2 4.22Å |
| 143 | F | 94.3 | Very high | 87.4 | Confident | 9 Ų | 9 | 70.6 Ų | 70.6 | 4% | 0.039 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 162.3 | 178.5 | 60.3 | -92.5 | 0 | 0 | 0 | 112.4 | V128 Y157 L166 L168 Q183 Y185 | V128-F143 HydrophobicContact CB-CD1 4.46Å; V128-F143 HydrophobicContact CB-CE1 4.17Å; V128-F143 HydrophobicContact CB-CE2 4.24Å; V128-F143 HydrophobicContact CB-CZ 4.07Å; V128-F143 HydrophobicContact CG1-CE1 4.37Å; V128-F143 HydrophobicContact CG1-CZ 4.43Å; V128-F143 HydrophobicContact CG2-CD2 4.27Å; V128-F143 HydrophobicContact CG2-CE1 4.35Å; V128-F143 HydrophobicContact CG2-CE2 3.67Å; V128-F143 HydrophobicContact CG2-CZ 3.74Å; V128-F143 PolarHBondContact N-O 2.85Å; F143-Y157 HydrophobicContact CE1-CE2 4.2Å; F143-Y157 AromaticContact CZ-CE2 3.99Å; F143-Y157 HydrophobicContact CZ-CE2 3.99Å; F143-L166 HydrophobicContact CD1-CD1 4.2Å; F143-L166 HydrophobicContact CE1-CB 3.84Å; F143-L166 HydrophobicContact CE1-CD1 3.99Å; F143-L168 HydrophobicContact CE2-CB 4.49Å; F143-L168 HydrophobicContact CZ-CB 4.28Å; F143-Q183 HydrophobicContact CE2-CG 4.15Å; F143-Y185 HydrophobicContact CB-CD1 4.29Å; F143-Y185 HydrophobicContact CB-CD2 3.81Å; F143-Y185 HydrophobicContact CB-CE1 4.19Å; F143-Y185 HydrophobicContact CB-CE2 3.72Å; F143-Y185 HydrophobicContact CB-CG 4.07Å; F143-Y185 AromaticContact CD1-CD1 3.52Å; F143-Y185 HydrophobicContact CD1-CD1 3.52Å; F143-Y185 HydrophobicContact CD1-CD2 4.19Å; F143-Y185 HydrophobicContact CD1-CE1 4.05Å; F143-Y185 AromaticContact CD1-CG 3.56Å; F143-Y185 HydrophobicContact CD1-CG 3.56Å; F143-Y185 HydrophobicContact CE1-CD1 4.15Å; F143-Y185 HydrophobicContact CE1-CG 4.1Å; F143-Y185 HydrophobicContact CG-CD1 4.17Å; F143-Y185 HydrophobicContact CG-CD2 4.03Å; F143-Y185 HydrophobicContact CG-CE2 4.42Å; F143-Y185 AromaticContact CG-CG 3.87Å; F143-Y185 HydrophobicContact CG-CG 3.87Å |
| 144 | D | 93.7 | Very high | 87.8 | Confident | 90 Ų | 90 | 70 Ų | 70 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 138.8 | 173.3 | -71.3 | -61.1 | 0 | 0 | 0 | 111.8 | S127 K141 H146 Q183 | S127-D144 PolarHBondContact OG-OD1 2.84Å; K141-D144 WeakPolarHBondContact CE-OD1 3.41Å; K141-D144 VanDerWaalsContact NZ-CG 3.26Å; K141-D144 IonicContact NZ-OD1 3.69Å; K141-D144 PolarHBondContact NZ-OD1 2.75Å; K141-D144 IonicContact NZ-OD2 3.15Å; K141-D144 PolarHBondContact NZ-OD2 3.07Å; D144-H146 PolarHBondContact O-N 3.45Å; D144-Q183 PolarHBondContact O-NE2 3.03Å |
| 145 | R | 92.4 | Very high | 88.1 | Confident | 29 Ų | 29 | 67.3 Ų | 67.3 | 11% | 0.109 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -63 | 130.4 | 175.2 | -72.1 | 178.3 | 61.7 | 178.7 | -3.2 | 109.9 | T124 G125 T126 V128 L149 L168 | T124-R145 WeakPolarHBondContact O-CD 3.32Å; T124-R145 PolarHBondContact O-NH1 3.24Å; G125-R145 WeakPolarHBondContact O-CD 3.41Å; G125-R145 PolarHBondContact O-NH1 3.47Å; T126-R145 WeakPolarHBondContact O-CB 3.43Å; T126-R145 PolarHBondContact O-N 2.92Å; V128-R145 HydrophobicContact CG2-CG 4.38Å; R145-L149 PolarHBondContact NH2-O 3.03Å; R145-L168 HydrophobicContact CG-CD2 3.82Å |
| 146 | H | 92.4 | Very high | 88.5 | Confident | 82 Ų | 82 | 65.3 Ų | 65.3 | 38% | 0.38 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 146.6 | 176.4 | -169.2 | -97.6 | 0 | 0 | 0 | 110.6 | D144 S148 L149 Q183 | D144-H146 PolarHBondContact O-N 3.45Å; H146-S148 PolarHBondContact ND1-N 2.76Å; H146-S148 PolarHBondContact ND1-OG 2.91Å; H146-S148 PolarHBondContact O-N 2.93Å; H146-S148 VanDerWaalsContact O-N 3.1Å; H146-L149 WeakPolarHBondContact O-CB 3.39Å; H146-L149 PolarHBondContact O-N 3.03Å; H146-Q183 HydrophobicContact CB-CG 4.23Å |
| 147 | Q | 87.5 | Confident | 89.3 | Confident | 176 Ų | 176 | 56.2 Ų | 56.2 | 82% | 0.822 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -57.4 | -30.3 | -176 | -67.9 | 178.5 | 3.7 | 0 | 0 | 113.4 | L149 A150 | Q147-L149 PolarHBondContact O-N 2.82Å; Q147-A150 VanDerWaalsContact O-CB 3.27Å; Q147-A150 WeakPolarHBondContact O-CB 3.47Å; Q147-A150 PolarHBondContact O-N 3.28Å; Q147-A150 VanDerWaalsContact O-N 3.08Å |
| 148 | S | 86 | Confident | 89.8 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 23% | 0.231 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -61.5 | -22.1 | 175 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | H146 S152 | H146-S148 PolarHBondContact ND1-N 2.76Å; H146-S148 PolarHBondContact ND1-OG 2.91Å; H146-S148 PolarHBondContact O-N 2.93Å; H146-S148 VanDerWaalsContact O-N 3.1Å; S148-S152 PolarHBondContact O-OG 3.46Å |
| 149 | L | 88.8 | Confident | 89.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -94.2 | -1.2 | 177.9 | -75.8 | 167 | 0 | 0 | 0 | 113.2 | R145 H146 Q147 S151 S152 I154 L168 Y181 Q183 | R145-L149 PolarHBondContact NH2-O 3.03Å; H146-L149 WeakPolarHBondContact O-CB 3.39Å; H146-L149 PolarHBondContact O-N 3.03Å; Q147-L149 PolarHBondContact O-N 2.82Å; L149-S151 PolarHBondContact O-N 2.88Å; L149-S152 PolarHBondContact O-N 2.9Å; L149-S152 VanDerWaalsContact O-N 3.17Å; L149-I154 HydrophobicContact CD2-CD1 4.11Å; L149-L168 HydrophobicContact CD1-CB 4.46Å; L149-L168 HydrophobicContact CD1-CD2 3.78Å; L149-L168 HydrophobicContact CD1-CG 4.07Å; L149-Y181 WeakPolarHBondContact CD2-O 3.33Å; L149-Q183 HydrophobicContact CD1-CB 3.65Å |
| 150 | A | 83.1 | Confident | 89.9 | Confident | 78 Ų | 78 | 51.4 Ų | 51.4 | 65% | 0.645 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -41 | -172 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q147 | Q147-A150 VanDerWaalsContact O-CB 3.27Å; Q147-A150 WeakPolarHBondContact O-CB 3.47Å; Q147-A150 PolarHBondContact O-N 3.28Å; Q147-A150 VanDerWaalsContact O-N 3.08Å |
| 151 | S | 81.6 | Confident | 89.5 | Confident | 98 Ų | 98 | 52.1 Ų | 52.1 | 69% | 0.685 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 14 | 177.6 | 57.2 | 0 | 0 | 0 | 0 | 113.7 | L149 T172 | L149-S151 PolarHBondContact O-N 2.88Å; S151-T172 PolarHBondContact O-OG1 3Å |
| 152 | S | 86.8 | Confident | 89.1 | Confident | 11 Ų | 11 | 50.8 Ų | 50.8 | 8% | 0.077 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -96.5 | 138.8 | -177.9 | -62.6 | 0 | 0 | 0 | 0 | 111.8 | S148 L149 I154 I171 | S148-S152 PolarHBondContact O-OG 3.46Å; L149-S152 PolarHBondContact O-N 2.9Å; L149-S152 VanDerWaalsContact O-N 3.17Å; S152-I154 PolarHBondContact O-N 3.38Å; S152-I171 CarbonylContact C-O 3.53Å; S152-I171 WeakPolarHBondContact CA-O 3.42Å |
| 153 | Q | 88.4 | Confident | 88.8 | Confident | 118 Ų | 118 | 52 Ų | 52 | 55% | 0.551 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 116.4 | 166.4 | -177 | 179.2 | 7.3 | 0 | 0 | 108.7 | I155 G170 I171 | Q153-I155 PolarHBondContact O-N 3.45Å; Q153-G170 CarbonylContact O-C 3.57Å; Q153-G170 WeakPolarHBondContact O-CA 3.35Å; Q153-I171 HydrophobicContact CB-CG1 4.5Å; Q153-I171 PolarHBondContact N-O 2.72Å; Q153-I171 PolarHBondContact O-N 2.89Å |
| 154 | I | 90.5 | Very high | 88.5 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 6% | 0.062 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 126.9 | 177 | -57.1 | -52.9 | 0 | 0 | 0 | 109.2 | V110 F111 V123 L149 S152 L168 | V110-I154 HydrophobicContact CG2-CG1 4.37Å; F111-I154 HydrophobicContact CB-CB 3.95Å; F111-I154 HydrophobicContact CB-CG2 3.72Å; F111-I154 HydrophobicContact CD1-CG2 3.77Å; F111-I154 HydrophobicContact CD2-CG2 4.17Å; F111-I154 HydrophobicContact CE1-CG2 4.43Å; F111-I154 HydrophobicContact CG-CB 4.25Å; F111-I154 HydrophobicContact CG-CG2 3.62Å; V123-I154 HydrophobicContact CG1-CG1 4.19Å; L149-I154 HydrophobicContact CD2-CD1 4.11Å; S152-I154 PolarHBondContact O-N 3.38Å; I154-L168 HydrophobicContact CD1-CD1 4.12Å; I154-L168 HydrophobicContact CD1-CD2 4.15Å; I154-L168 HydrophobicContact CD1-CG 4.09Å; I154-L168 HydrophobicContact CG1-CD1 4.41Å; I154-L168 HydrophobicContact CG2-CD1 3.55Å |
| 155 | I | 87.6 | Confident | 88.5 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 18% | 0.179 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | -23.7 | -177 | 55.1 | 162.5 | 0 | 0 | 0 | 113.8 | F28 Q153 I169 I171 | F28-I155 HydrophobicContact CE1-CG2 4.5Å; F28-I155 HydrophobicContact CE2-CB 4.41Å; F28-I155 HydrophobicContact CE2-CG2 4.34Å; F28-I155 HydrophobicContact CZ-CB 4.14Å; F28-I155 HydrophobicContact CZ-CG2 3.91Å; Q153-I155 PolarHBondContact O-N 3.45Å; I155-I169 HydrophobicContact CD1-CG2 3.97Å; I155-I169 HydrophobicContact CG1-CB 4.34Å; I155-I169 HydrophobicContact CG1-CG2 3.9Å; I155-I169 PolarHBondContact N-O 3.05Å; I155-I171 HydrophobicContact CD1-CG1 4.48Å; I155-I171 HydrophobicContact CD1-CG2 3.66Å; I155-I171 HydrophobicContact CG1-CG2 4.33Å; I155-I171 HydrophobicContact CG2-CD1 3.75Å; I155-I171 HydrophobicContact CG2-CG1 3.68Å |
| 156 | S | 88.3 | Confident | 88.7 | Confident | 18 Ų | 18 | 53 Ų | 53 | 13% | 0.126 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 151 | -178.9 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | I169 | S156-I169 PolarHBondContact N-O 3.13Å; S156-I169 PolarHBondContact O-N 2.96Å |
| 157 | Y | 92.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 137.5 | 166.3 | -172.3 | -98.5 | 0 | 0 | 0 | 108.6 | K113 I115 A121 V128 H130 F143 L166 L167 L168 | K113-Y157 WeakPolarHBondContact CD-O 3.49Å; I115-Y157 HydrophobicContact CG2-CD1 3.53Å; I115-Y157 HydrophobicContact CG2-CE1 3.81Å; A121-Y157 HydrophobicContact CB-CD1 3.24Å; A121-Y157 HydrophobicContact CB-CE1 3.4Å; A121-Y157 VanDerWaalsContact CB-CE1 3.4Å; A121-Y157 HydrophobicContact CB-CG 4.01Å; V128-Y157 HydrophobicContact CG1-CD2 4.36Å; V128-Y157 HydrophobicContact CG1-CE2 3.63Å; V128-Y157 HydrophobicContact CG2-CE2 4.49Å; H130-Y157 AromaticContact NE2-CE1 3.45Å; H130-Y157 WeakPolarHBondContact NE2-CE1 3.28Å; H130-Y157 AromaticContact NE2-CZ 3.54Å; H130-Y157 PolarHBondContact NE2-OH 2.93Å; F143-Y157 HydrophobicContact CE1-CE2 4.2Å; F143-Y157 AromaticContact CZ-CE2 3.99Å; F143-Y157 HydrophobicContact CZ-CE2 3.99Å; Y157-L166 WeakPolarHBondContact OH-CB 3.41Å; Y157-L166 WeakPolarHBondContact OH-CD1 3.33Å; Y157-L167 CarbonylContact C-O 3.35Å; Y157-L167 VanDerWaalsContact CA-O 3.29Å; Y157-L167 WeakPolarHBondContact CA-O 3.28Å; Y157-L167 VanDerWaalsContact CD2-O 3.25Å; Y157-L167 WeakPolarHBondContact CD2-O 3.49Å; Y157-L168 HydrophobicContact CD2-CB 4.05Å; Y157-L168 HydrophobicContact CD2-CD1 3.83Å; Y157-L168 HydrophobicContact CE2-CB 4.33Å |
| 158 | R | 91.3 | Very high | 89.1 | Confident | 40 Ų | 40 | 40.7 Ų | 40.7 | 15% | 0.151 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 151.8 | 179.7 | -67 | -167.2 | 179.7 | -132.8 | 2 | 110.8 | L167 A200 F202 M265 | R158-L167 HydrophobicContact CB-CB 4.48Å; R158-L167 PolarHBondContact N-O 3.25Å; R158-L167 PolarHBondContact O-N 3.49Å; R158-A200 VanDerWaalsContact CD-O 3.24Å; R158-A200 WeakPolarHBondContact CD-O 3.3Å; R158-A200 PolarHBondContact NE-O 3.47Å; R158-A200 VanDerWaalsContact NE-O 3.16Å; R158-F202 HydrophobicContact CB-CD2 4.46Å; R158-F202 HydrophobicContact CB-CE2 4.45Å; R158-M265 VanDerWaalsContact CZ-O 3.26Å; R158-M265 PolarHBondContact NH1-O 2.99Å; R158-M265 PolarHBondContact NH2-O 2.82Å |
| 159 | C | 91.7 | Very high | 89.4 | Confident | 25 Ų | 25 | 39.2 Ų | 39.2 | 17% | 0.169 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 158 | 167.9 | 63.8 | 0 | 0 | 0 | 0 | 109.8 | Q163 W165 L166 F202 | C159-Q163 HydrophobicContact CB-CG 4.47Å; C159-W165 VanDerWaalsContact CA-O 3.25Å; C159-W165 WeakPolarHBondContact CA-O 3.28Å; C159-L166 HydrophobicContact CB-CD2 3.77Å; C159-F202 WeakPolarHBondContact O-CD2 3.49Å |
| 160 | D | 90.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | trans | -71.8 | 163.8 | 164.7 | 80.2 | -65.6 | 0 | 0 | 0 | 110.2 | S162 Q163 K164 W165 F202 T215 | D160-S162 PolarHBondContact O-N 3.46Å; D160-S162 VanDerWaalsContact O-N 3.1Å; D160-S162 WeakPolarHBondContact OD2-CA 3.42Å; D160-S162 WeakPolarHBondContact OD2-CB 3.42Å; D160-S162 PolarHBondContact OD2-N 2.87Å; D160-S162 PolarHBondContact OD2-OG 3.28Å; D160-Q163 PolarHBondContact O-N 2.85Å; D160-Q163 WeakPolarHBondContact OD1-CA 3.41Å; D160-Q163 PolarHBondContact OD1-N 3.39Å; D160-K164 PolarHBondContact OD1-N 3.15Å; D160-W165 HydrophobicContact CB-CB 4.24Å; D160-W165 PolarHBondContact N-O 3.47Å; D160-W165 VanDerWaalsContact N-O 3.08Å; D160-W165 PolarHBondContact OD1-N 3.41Å; D160-F202 HydrophobicContact CB-CB 4.15Å; D160-F202 HydrophobicContact CB-CD1 4.13Å; D160-F202 HydrophobicContact CB-CD2 4.19Å; D160-F202 HydrophobicContact CB-CG 3.91Å; D160-T215 HydrophobicContact CB-CG2 4.05Å | ||
| 161 | P | 83.4 | Confident | 89.8 | Confident | 100 Ų | 100 | 37 Ų | 37 | 65% | 0.649 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -25.9 | -179.1 | -26.9 | 35.6 | 0 | 0 | 0 | 114.6 | ||
| 162 | S | 85.5 | Confident | 90 | Very high | 68 Ų | 68 | 33.8 Ų | 33.8 | 48% | 0.476 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -0.6 | 176.7 | 75.2 | 0 | 0 | 0 | 0 | 113.9 | D160 K164 | D160-S162 PolarHBondContact O-N 3.46Å; D160-S162 VanDerWaalsContact O-N 3.1Å; D160-S162 WeakPolarHBondContact OD2-CA 3.42Å; D160-S162 WeakPolarHBondContact OD2-CB 3.42Å; D160-S162 PolarHBondContact OD2-N 2.87Å; D160-S162 PolarHBondContact OD2-OG 3.28Å; S162-K164 PolarHBondContact O-N 2.87Å; S162-K164 VanDerWaalsContact O-N 3.12Å; S162-K164 WeakPolarHBondContact OG-CG 3.45Å |
| 163 | Q | 87.9 | Confident | 89.8 | Confident | 68 Ų | 68 | 37.9 Ų | 37.9 | 32% | 0.318 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 53.1 | 25.5 | -176.4 | -55.2 | -176.6 | 16.9 | 0 | 0 | 114.2 | C159 D160 V187 | C159-Q163 HydrophobicContact CB-CG 4.47Å; D160-Q163 PolarHBondContact O-N 2.85Å; D160-Q163 WeakPolarHBondContact OD1-CA 3.41Å; D160-Q163 PolarHBondContact OD1-N 3.39Å; Q163-V187 WeakPolarHBondContact O-CG2 3.35Å |
| 164 | K | 89.2 | Confident | 89.5 | Confident | 104 Ų | 104 | 36.4 Ų | 36.4 | 45% | 0.452 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -87.3 | -22.4 | 176.1 | -70.1 | -173.8 | 176.1 | -165.7 | 0 | 112.8 | D160 S162 V187 E188 | D160-K164 PolarHBondContact OD1-N 3.15Å; S162-K164 PolarHBondContact O-N 2.87Å; S162-K164 VanDerWaalsContact O-N 3.12Å; S162-K164 WeakPolarHBondContact OG-CG 3.45Å; K164-V187 WeakPolarHBondContact O-CG2 3.34Å; K164-V187 PolarHBondContact O-N 3.49Å; K164-E188 IonicContact NZ-OE2 3.94Å |
| 165 | W | 93.9 | Very high | 88.7 | Confident | 44 Ų | 44 | 42.6 Ų | 42.6 | 17% | 0.167 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124.3 | 178.4 | -67.7 | 101 | 0 | 0 | 0 | 109.5 | C159 D160 L184 Y185 S186 F202 V234 | C159-W165 VanDerWaalsContact CA-O 3.25Å; C159-W165 WeakPolarHBondContact CA-O 3.28Å; D160-W165 HydrophobicContact CB-CB 4.24Å; D160-W165 PolarHBondContact N-O 3.47Å; D160-W165 VanDerWaalsContact N-O 3.08Å; D160-W165 PolarHBondContact OD1-N 3.41Å; W165-L184 HydrophobicContact CE3-CD1 4.07Å; W165-L184 HydrophobicContact CE3-CD2 4.27Å; W165-L184 HydrophobicContact CE3-CG 4.03Å; W165-L184 HydrophobicContact CZ3-CD2 4.28Å; W165-L184 HydrophobicContact CZ3-CG 4.3Å; W165-Y185 WeakPolarHBondContact CA-O 3.41Å; W165-S186 VanDerWaalsContact CZ3-CB 3.49Å; W165-F202 HydrophobicContact CB-CE1 3.87Å; W165-F202 HydrophobicContact CB-CZ 3.79Å; W165-V234 HydrophobicContact CD2-CB 4.21Å; W165-V234 HydrophobicContact CD2-CG2 4.32Å; W165-V234 HydrophobicContact CG-CG2 4.19Å; W165-V234 HydrophobicContact CZ2-CB 4.09Å |
| 166 | L | 94.6 | Very high | 88 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 139.8 | -177.4 | -51.4 | 179.7 | 0 | 0 | 0 | 109.2 | M142 F143 Y157 C159 L184 Y185 V187 | M142-L166 HydrophobicContact CB-CD1 4.06Å; M142-L166 HydrophobicContact CE-CD1 3.76Å; M142-L166 HydrophobicContact CG-CD1 4.29Å; F143-L166 HydrophobicContact CD1-CD1 4.2Å; F143-L166 HydrophobicContact CE1-CB 3.84Å; F143-L166 HydrophobicContact CE1-CD1 3.99Å; Y157-L166 WeakPolarHBondContact OH-CB 3.41Å; Y157-L166 WeakPolarHBondContact OH-CD1 3.33Å; C159-L166 HydrophobicContact CB-CD2 3.77Å; L166-L184 CarbonylContact O-C 3.52Å; L166-L184 WeakPolarHBondContact O-CA 3.35Å; L166-Y185 HydrophobicContact CB-CD1 4.49Å; L166-Y185 HydrophobicContact CD1-CD1 3.98Å; L166-Y185 HydrophobicContact CG-CD1 4.4Å; L166-Y185 PolarHBondContact N-O 3.27Å; L166-Y185 PolarHBondContact O-N 3.35Å; L166-V187 HydrophobicContact CD1-CG2 3.62Å; L166-V187 HydrophobicContact CD2-CG2 4.35Å; L166-V187 HydrophobicContact CG-CG2 3.73Å |
| 167 | L | 94.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 119.9 | -175.1 | -176.9 | 75.1 | 0 | 0 | 0 | 110.6 | Y157 R158 I169 M182 Q183 L184 A200 F202 F217 | Y157-L167 CarbonylContact C-O 3.35Å; Y157-L167 VanDerWaalsContact CA-O 3.29Å; Y157-L167 WeakPolarHBondContact CA-O 3.28Å; Y157-L167 VanDerWaalsContact CD2-O 3.25Å; Y157-L167 WeakPolarHBondContact CD2-O 3.49Å; R158-L167 HydrophobicContact CB-CB 4.48Å; R158-L167 PolarHBondContact N-O 3.25Å; R158-L167 PolarHBondContact O-N 3.49Å; L167-I169 HydrophobicContact CD2-CD1 3.85Å; L167-I169 HydrophobicContact CD2-CG1 3.97Å; L167-I169 HydrophobicContact CG-CD1 4.44Å; L167-I169 HydrophobicContact CG-CG1 4Å; L167-M182 HydrophobicContact CD1-CB 4.05Å; L167-Q183 WeakPolarHBondContact CA-O 3.45Å; L167-L184 HydrophobicContact CB-CD1 4.49Å; L167-L184 HydrophobicContact CD1-CB 4.04Å; L167-L184 HydrophobicContact CD1-CD1 4.12Å; L167-A200 HydrophobicContact CD2-CB 3.56Å; L167-F202 HydrophobicContact CB-CE2 3.97Å; L167-F202 HydrophobicContact CB-CZ 4.17Å; L167-F217 HydrophobicContact CD1-CE2 3.93Å; L167-F217 HydrophobicContact CD1-CZ 3.81Å; L167-F217 HydrophobicContact CD2-CE2 3.61Å; L167-F217 HydrophobicContact CD2-CZ 4.21Å; L167-F217 HydrophobicContact CG-CE2 4.36Å |
| 168 | L | 94.5 | Very high | 87 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 130.2 | 171.2 | -177.7 | 66.4 | 0 | 0 | 0 | 109.5 | V123 V128 F143 R145 L149 I154 Y157 M182 Q183 | V123-L168 HydrophobicContact CG1-CD1 4.05Å; V123-L168 HydrophobicContact CG1-CD2 4.26Å; V123-L168 HydrophobicContact CG2-CD1 3.77Å; V128-L168 HydrophobicContact CG2-CD2 3.88Å; F143-L168 HydrophobicContact CE2-CB 4.49Å; F143-L168 HydrophobicContact CZ-CB 4.28Å; R145-L168 HydrophobicContact CG-CD2 3.82Å; L149-L168 HydrophobicContact CD1-CB 4.46Å; L149-L168 HydrophobicContact CD1-CD2 3.78Å; L149-L168 HydrophobicContact CD1-CG 4.07Å; I154-L168 HydrophobicContact CD1-CD1 4.12Å; I154-L168 HydrophobicContact CD1-CD2 4.15Å; I154-L168 HydrophobicContact CD1-CG 4.09Å; I154-L168 HydrophobicContact CG1-CD1 4.41Å; I154-L168 HydrophobicContact CG2-CD1 3.55Å; Y157-L168 HydrophobicContact CD2-CB 4.05Å; Y157-L168 HydrophobicContact CD2-CD1 3.83Å; Y157-L168 HydrophobicContact CE2-CB 4.33Å; L168-M182 CarbonylContact O-C 3.59Å; L168-M182 WeakPolarHBondContact O-CA 3.34Å; L168-Q183 HydrophobicContact CB-CB 4.38Å; L168-Q183 PolarHBondContact N-O 3.47Å; L168-Q183 PolarHBondContact O-N 3.26Å |
| 169 | I | 92.7 | Very high | 86.6 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.5 | -179.2 | -49.4 | -179 | 0 | 0 | 0 | 108.9 | I155 S156 L167 M182 A200 | I155-I169 HydrophobicContact CD1-CG2 3.97Å; I155-I169 HydrophobicContact CG1-CB 4.34Å; I155-I169 HydrophobicContact CG1-CG2 3.9Å; I155-I169 PolarHBondContact N-O 3.05Å; S156-I169 PolarHBondContact N-O 3.13Å; S156-I169 PolarHBondContact O-N 2.96Å; L167-I169 HydrophobicContact CD2-CD1 3.85Å; L167-I169 HydrophobicContact CD2-CG1 3.97Å; L167-I169 HydrophobicContact CG-CD1 4.44Å; L167-I169 HydrophobicContact CG-CG1 4Å; I169-M182 HydrophobicContact CB-CG 4.34Å; I169-M182 HydrophobicContact CD1-SD 4.27Å; I169-M182 HydrophobicContact CG1-CG 3.98Å; I169-M182 HydrophobicContact CG1-SD 4.24Å; I169-M182 HydrophobicContact CG2-CG 4.02Å; I169-A200 HydrophobicContact CD1-CB 4.06Å |
| 170 | G | 90.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 156.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q153 G180 Y181 | Q153-G170 CarbonylContact O-C 3.57Å; Q153-G170 WeakPolarHBondContact O-CA 3.35Å; G170-G180 CarbonylContact O-C 3.59Å; G170-G180 WeakPolarHBondContact O-CA 3.29Å; G170-Y181 PolarHBondContact N-O 3.05Å; G170-Y181 PolarHBondContact O-N 2.84Å; G170-Y181 VanDerWaalsContact O-O 3.06Å |
| 171 | I | 88.4 | Confident | 86.5 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 16% | 0.159 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 149.4 | 176.5 | 57.3 | 172.9 | 0 | 0 | 0 | 110.2 | S152 Q153 I155 V178 V179 | S152-I171 CarbonylContact C-O 3.53Å; S152-I171 WeakPolarHBondContact CA-O 3.42Å; Q153-I171 HydrophobicContact CB-CG1 4.5Å; Q153-I171 PolarHBondContact N-O 2.72Å; Q153-I171 PolarHBondContact O-N 2.89Å; I155-I171 HydrophobicContact CD1-CG1 4.48Å; I155-I171 HydrophobicContact CD1-CG2 3.66Å; I155-I171 HydrophobicContact CG1-CG2 4.33Å; I155-I171 HydrophobicContact CG2-CD1 3.75Å; I155-I171 HydrophobicContact CG2-CG1 3.68Å; I171-V178 HydrophobicContact CB-CG1 3.75Å; I171-V178 HydrophobicContact CD1-CG1 4.01Å; I171-V178 HydrophobicContact CG1-CG1 4.38Å; I171-V178 HydrophobicContact CG2-CG1 4.06Å; I171-V179 CarbonylContact C-O 3.52Å; I171-V179 VanDerWaalsContact CA-O 3.29Å; I171-V179 WeakPolarHBondContact CA-O 3.25Å |
| 172 | T | 87.3 | Confident | 87 | Confident | 31 Ų | 31 | 51.8 Ų | 51.8 | 19% | 0.19 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 154 | 173.1 | -162.8 | 0 | 0 | 0 | 0 | 110.2 | S151 V179 Y181 | S151-T172 PolarHBondContact O-OG1 3Å; T172-V179 HydrophobicContact CG2-CB 4.42Å; T172-V179 PolarHBondContact N-O 2.79Å; T172-V179 PolarHBondContact O-N 3.47Å; T172-Y181 HydrophobicContact CG2-CD2 4.22Å; T172-Y181 HydrophobicContact CG2-CE2 3.72Å |
| 173 | S | 82.5 | Confident | 87.5 | Confident | 96 Ų | 96 | 48.6 Ų | 48.6 | 67% | 0.671 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 116 | 176.8 | -178 | 0 | 0 | 0 | 0 | 109 | R177 | S173-R177 WeakPolarHBondContact CA-O 3.34Å |
| 174 | Q | 80.7 | Confident | 87.8 | Confident | 87 Ų | 87 | 45.8 Ų | 45.8 | 41% | 0.407 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 125.7 | 180 | -169.9 | 173.8 | 0.6 | 0 | 0 | 108.6 | N176 R177 V179 | Q174-N176 PolarHBondContact O-N 3.17Å; Q174-R177 PolarHBondContact N-O 3.21Å; Q174-R177 CarbonylContact O-C 3.59Å; Q174-R177 WeakPolarHBondContact O-CA 3.35Å; Q174-R177 WeakPolarHBondContact O-CB 3.12Å; Q174-R177 PolarHBondContact O-N 3.38Å; Q174-V179 HydrophobicContact CB-CG2 3.9Å |
| 175 | D | 75.4 | Confident | 88 | Confident | 142 Ų | 142 | 42 Ų | 42 | 76% | 0.759 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 46 | 179.2 | -53.6 | -39.2 | 0 | 0 | 0 | 114.6 | R177 | D175-R177 PolarHBondContact O-N 3.07Š|
| 176 | N | 72.3 | Confident | 88 | Confident | 161 Ų | 161 | 40.2 Ų | 40.2 | 86% | 0.861 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 13.9 | -173.9 | -70.2 | -19.9 | 0 | 0 | 0 | 115 | Q174 | Q174-N176 PolarHBondContact O-N 3.17Š|
| 177 | R | 77.6 | Confident | 87.9 | Confident | 126 Ų | 126 | 42.4 Ų | 42.4 | 48% | 0.475 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 154.6 | 174.1 | -63.3 | 178 | -178.2 | -168.4 | -2 | 110 | S173 Q174 D175 A224 | S173-R177 WeakPolarHBondContact CA-O 3.34Å; Q174-R177 PolarHBondContact N-O 3.21Å; Q174-R177 CarbonylContact O-C 3.59Å; Q174-R177 WeakPolarHBondContact O-CA 3.35Å; Q174-R177 WeakPolarHBondContact O-CB 3.12Å; Q174-R177 PolarHBondContact O-N 3.38Å; D175-R177 PolarHBondContact O-N 3.07Å; R177-A224 PolarHBondContact NH1-O 3.18Å |
| 178 | V | 81.4 | Confident | 87.6 | Confident | 44 Ų | 44 | 49.2 Ų | 49.2 | 27% | 0.267 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 111.5 | 172.8 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | I171 H198 F261 | I171-V178 HydrophobicContact CB-CG1 3.75Å; I171-V178 HydrophobicContact CD1-CG1 4.01Å; I171-V178 HydrophobicContact CG1-CG1 4.38Å; I171-V178 HydrophobicContact CG2-CG1 4.06Å; V178-H198 PolarHBondContact O-NE2 3.37Å; V178-F261 HydrophobicContact CB-CD1 4.33Å; V178-F261 HydrophobicContact CB-CE1 3.84Å; V178-F261 HydrophobicContact CB-CE2 4.44Å; V178-F261 HydrophobicContact CB-CZ 3.92Å; V178-F261 HydrophobicContact CG1-CE1 4.38Å; V178-F261 HydrophobicContact CG1-CE2 4.17Å; V178-F261 HydrophobicContact CG1-CZ 3.94Å; V178-F261 HydrophobicContact CG2-CE1 3.76Å; V178-F261 HydrophobicContact CG2-CZ 3.94Å |
| 179 | V | 84.3 | Confident | 87.3 | Confident | 24 Ų | 24 | 57.6 Ų | 57.6 | 15% | 0.145 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 131.3 | 176.1 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | I171 T172 Q174 Y181 E196 | I171-V179 CarbonylContact C-O 3.52Å; I171-V179 VanDerWaalsContact CA-O 3.29Å; I171-V179 WeakPolarHBondContact CA-O 3.25Å; T172-V179 HydrophobicContact CG2-CB 4.42Å; T172-V179 PolarHBondContact N-O 2.79Å; T172-V179 PolarHBondContact O-N 3.47Å; Q174-V179 HydrophobicContact CB-CG2 3.9Å; V179-Y181 HydrophobicContact CB-CE2 4.42Å; V179-Y181 HydrophobicContact CG1-CD2 4.45Å; V179-Y181 HydrophobicContact CG1-CE1 4.36Å; V179-Y181 HydrophobicContact CG1-CE2 3.83Å; V179-E196 HydrophobicContact CG1-CG 4.49Å |
| 180 | G | 88.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 130.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G170 E196 G197 H198 | G170-G180 CarbonylContact O-C 3.59Å; G170-G180 WeakPolarHBondContact O-CA 3.29Å; G180-E196 CarbonylContact O-C 3.51Å; G180-E196 WeakPolarHBondContact O-CA 3.42Å; G180-G197 CarbonylContact C-O 3.57Å; G180-G197 WeakPolarHBondContact CA-O 3.4Å; G180-G197 PolarHBondContact O-N 3.48Å; G180-H198 PolarHBondContact N-NE2 3.41Å |
| 181 | Y | 91.7 | Very high | 87.1 | Confident | 58 Ų | 58 | 69.6 Ų | 69.6 | 23% | 0.227 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 136.4 | 172.3 | -66.5 | -73.5 | 0 | 0 | 0 | 109.2 | L149 G170 T172 V179 | L149-Y181 WeakPolarHBondContact CD2-O 3.33Å; G170-Y181 PolarHBondContact N-O 3.05Å; G170-Y181 PolarHBondContact O-N 2.84Å; G170-Y181 VanDerWaalsContact O-O 3.06Å; T172-Y181 HydrophobicContact CG2-CD2 4.22Å; T172-Y181 HydrophobicContact CG2-CE2 3.72Å; V179-Y181 HydrophobicContact CB-CE2 4.42Å; V179-Y181 HydrophobicContact CG1-CD2 4.45Å; V179-Y181 HydrophobicContact CG1-CE1 4.36Å; V179-Y181 HydrophobicContact CG1-CE2 3.83Å |
| 182 | M | 93.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 146 | 175.9 | -58.1 | -175.7 | -59.4 | 0 | 0 | 110.1 | L167 L168 I169 A194 I195 G197 A200 F217 F219 | L167-M182 HydrophobicContact CD1-CB 4.05Å; L168-M182 CarbonylContact O-C 3.59Å; L168-M182 WeakPolarHBondContact O-CA 3.34Å; I169-M182 HydrophobicContact CB-CG 4.34Å; I169-M182 HydrophobicContact CD1-SD 4.27Å; I169-M182 HydrophobicContact CG1-CG 3.98Å; I169-M182 HydrophobicContact CG1-SD 4.24Å; I169-M182 HydrophobicContact CG2-CG 4.02Å; M182-A194 CarbonylContact O-C 3.36Å; M182-A194 WeakPolarHBondContact O-CA 3.49Å; M182-I195 WeakPolarHBondContact CA-O 3.38Å; M182-I195 HydrophobicContact CB-CB 4.36Å; M182-I195 WeakPolarHBondContact CB-O 3.26Å; M182-I195 HydrophobicContact CE-CB 4.03Å; M182-I195 HydrophobicContact CE-CG2 3.64Å; M182-I195 PolarHBondContact N-O 3.29Å; M182-I195 PolarHBondContact O-N 3.2Å; M182-G197 WeakPolarHBondContact CG-O 3.43Å; M182-A200 HydrophobicContact SD-CB 3.79Å; M182-F217 HydrophobicContact CE-CZ 4.26Å; M182-F219 HydrophobicContact CE-CB 3.79Å; M182-F219 HydrophobicContact CE-CD2 3.57Å; M182-F219 HydrophobicContact CE-CE2 4.31Å; M182-F219 HydrophobicContact CE-CG 3.8Å; M182-F219 HydrophobicContact SD-CB 4.31Å |
| 183 | Q | 94.6 | Very high | 87.5 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.009 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 106.9 | 172.1 | -178.4 | 178.7 | 0.4 | 0 | 0 | 108.3 | F143 D144 H146 L149 L167 L168 S192 Q193 | F143-Q183 HydrophobicContact CE2-CG 4.15Å; D144-Q183 PolarHBondContact O-NE2 3.03Å; H146-Q183 HydrophobicContact CB-CG 4.23Å; L149-Q183 HydrophobicContact CD1-CB 3.65Å; L167-Q183 WeakPolarHBondContact CA-O 3.45Å; L168-Q183 HydrophobicContact CB-CB 4.38Å; L168-Q183 PolarHBondContact N-O 3.47Å; L168-Q183 PolarHBondContact O-N 3.26Å; Q183-S192 PolarHBondContact NE2-OG 3.12Å; Q183-Q193 WeakPolarHBondContact CA-O 3.43Å |
| 184 | L | 94.4 | Very high | 87.9 | Confident | 8 Ų | 8 | 72.1 Ų | 72.1 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 124.1 | 174.2 | -179.2 | 67.8 | 0 | 0 | 0 | 108.8 | W165 L166 L167 S192 Q193 I195 F202 F217 V234 | W165-L184 HydrophobicContact CE3-CD1 4.07Å; W165-L184 HydrophobicContact CE3-CD2 4.27Å; W165-L184 HydrophobicContact CE3-CG 4.03Å; W165-L184 HydrophobicContact CZ3-CD2 4.28Å; W165-L184 HydrophobicContact CZ3-CG 4.3Å; L166-L184 CarbonylContact O-C 3.52Å; L166-L184 WeakPolarHBondContact O-CA 3.35Å; L167-L184 HydrophobicContact CB-CD1 4.49Å; L167-L184 HydrophobicContact CD1-CB 4.04Å; L167-L184 HydrophobicContact CD1-CD1 4.12Å; L184-S192 CarbonylContact O-C 3Å; L184-S192 WeakPolarHBondContact O-CA 3.47Å; L184-Q193 PolarHBondContact N-O 3.43Å; L184-Q193 PolarHBondContact O-N 3.46Å; L184-I195 HydrophobicContact CB-CD1 4.05Å; L184-I195 HydrophobicContact CD2-CD1 4.29Å; L184-F202 HydrophobicContact CD1-CE1 4.1Å; L184-F202 HydrophobicContact CD1-CZ 3.67Å; L184-F217 HydrophobicContact CD2-CD1 4.09Å; L184-F217 HydrophobicContact CD2-CE1 4.16Å; L184-V234 HydrophobicContact CD2-CG1 4.46Å |
| 185 | Y | 94.9 | Very high | 88.4 | Confident | 25 Ų | 25 | 69.2 Ų | 69.2 | 10% | 0.098 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 132.3 | -178 | 179.8 | -103.8 | 0 | 0 | 0 | 110.8 | M142 F143 W165 L166 V187 K190 V191 S192 | M142-Y185 PolarHBondContact O-OH 2.96Å; F143-Y185 HydrophobicContact CB-CD1 4.29Å; F143-Y185 HydrophobicContact CB-CD2 3.81Å; F143-Y185 HydrophobicContact CB-CE1 4.19Å; F143-Y185 HydrophobicContact CB-CE2 3.72Å; F143-Y185 HydrophobicContact CB-CG 4.07Å; F143-Y185 AromaticContact CD1-CD1 3.52Å; F143-Y185 HydrophobicContact CD1-CD1 3.52Å; F143-Y185 HydrophobicContact CD1-CD2 4.19Å; F143-Y185 HydrophobicContact CD1-CE1 4.05Å; F143-Y185 AromaticContact CD1-CG 3.56Å; F143-Y185 HydrophobicContact CD1-CG 3.56Å; F143-Y185 HydrophobicContact CE1-CD1 4.15Å; F143-Y185 HydrophobicContact CE1-CG 4.1Å; F143-Y185 HydrophobicContact CG-CD1 4.17Å; F143-Y185 HydrophobicContact CG-CD2 4.03Å; F143-Y185 HydrophobicContact CG-CE2 4.42Å; F143-Y185 AromaticContact CG-CG 3.87Å; F143-Y185 HydrophobicContact CG-CG 3.87Å; W165-Y185 WeakPolarHBondContact CA-O 3.41Å; L166-Y185 HydrophobicContact CB-CD1 4.49Å; L166-Y185 HydrophobicContact CD1-CD1 3.98Å; L166-Y185 HydrophobicContact CG-CD1 4.4Å; L166-Y185 PolarHBondContact N-O 3.27Å; L166-Y185 PolarHBondContact O-N 3.35Å; Y185-V187 HydrophobicContact CD1-CG2 4.19Å; Y185-V187 HydrophobicContact CE1-CG2 4.17Å; Y185-K190 WeakPolarHBondContact OH-CA 3.49Å; Y185-V191 WeakPolarHBondContact CA-O 3.43Å; Y185-V191 WeakPolarHBondContact CD2-O 3.24Å; Y185-S192 WeakPolarHBondContact CD2-OG 3.38Å |
| 186 | S | 93.7 | Very high | 89 | Confident | 6 Ų | 6 | 66.7 Ų | 66.7 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 117.3 | 169.8 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | W165 E188 R189 K190 V191 | W165-S186 VanDerWaalsContact CZ3-CB 3.49Å; S186-E188 VanDerWaalsContact C-N 3.32Å; S186-R189 PolarHBondContact OG-N 3.4Å; S186-K190 WeakPolarHBondContact O-CA 3.5Å; S186-K190 PolarHBondContact O-N 2.71Å; S186-V191 PolarHBondContact N-O 3.37Å; S186-V191 PolarHBondContact O-N 3.29Å |
| 187 | V | 91.3 | Very high | 89.8 | Confident | 46 Ų | 46 | 59 Ų | 59 | 28% | 0.279 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -40.7 | 175.8 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | M142 Q163 K164 L166 Y185 K190 | M142-V187 HydrophobicContact CE-CG1 4.47Å; M142-V187 HydrophobicContact CE-CG2 4.22Å; Q163-V187 WeakPolarHBondContact O-CG2 3.35Å; K164-V187 WeakPolarHBondContact O-CG2 3.34Å; K164-V187 PolarHBondContact O-N 3.49Å; L166-V187 HydrophobicContact CD1-CG2 3.62Å; L166-V187 HydrophobicContact CD2-CG2 4.35Å; L166-V187 HydrophobicContact CG-CG2 3.73Å; Y185-V187 HydrophobicContact CD1-CG2 4.19Å; Y185-V187 HydrophobicContact CE1-CG2 4.17Å; V187-K190 WeakPolarHBondContact O-CG 3.46Å |
| 188 | E | 88.3 | Confident | 90.3 | Very high | 144 Ų | 144 | 53.1 Ų | 53.1 | 67% | 0.673 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -45.1 | -178.3 | -171.5 | 174 | 165.1 | 0 | 0 | 112.1 | K164 S186 | K164-E188 IonicContact NZ-OE2 3.94Å; S186-E188 VanDerWaalsContact C-N 3.32Å |
| 189 | R | 89 | Confident | 90.7 | Very high | 175 Ų | 175 | 51.2 Ų | 51.2 | 66% | 0.66 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -13.7 | 179.9 | -60.8 | -174.8 | 177.9 | -171.2 | -0.2 | 113.7 | S186 V191 | S186-R189 PolarHBondContact OG-N 3.4Å; R189-V191 VanDerWaalsContact C-N 3.28Å; R189-V191 HydrophobicContact CB-CG2 4.48Å; R189-V191 PolarHBondContact O-N 3.21Å |
| 190 | K | 89.9 | Confident | 91.1 | Very high | 164 Ų | 164 | 50.1 Ų | 50.1 | 71% | 0.713 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55 | 36.2 | -173.4 | -57.4 | -177.9 | 179.1 | -179.4 | 0 | 114.2 | Y185 S186 V187 | Y185-K190 WeakPolarHBondContact OH-CA 3.49Å; S186-K190 WeakPolarHBondContact O-CA 3.5Å; S186-K190 PolarHBondContact O-N 2.71Å; V187-K190 WeakPolarHBondContact O-CG 3.46Å |
| 191 | V | 90.1 | Very high | 91.3 | Very high | 92 Ų | 92 | 50.1 Ų | 50.1 | 56% | 0.558 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.1 | -178.4 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | Y185 S186 R189 | Y185-V191 WeakPolarHBondContact CA-O 3.43Å; Y185-V191 WeakPolarHBondContact CD2-O 3.24Å; S186-V191 PolarHBondContact N-O 3.37Å; S186-V191 PolarHBondContact O-N 3.29Å; R189-V191 VanDerWaalsContact C-N 3.28Å; R189-V191 HydrophobicContact CB-CG2 4.48Å; R189-V191 PolarHBondContact O-N 3.21Å |
| 192 | S | 91.6 | Very high | 91.4 | Very high | 46 Ų | 46 | 48.3 Ų | 48.3 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 141.4 | 171.6 | -66.1 | 0 | 0 | 0 | 0 | 111.2 | Q183 L184 Y185 | Q183-S192 PolarHBondContact NE2-OG 3.12Å; L184-S192 CarbonylContact O-C 3Å; L184-S192 WeakPolarHBondContact O-CA 3.47Å; Y185-S192 WeakPolarHBondContact CD2-OG 3.38Å |
| 193 | Q | 91.9 | Very high | 91.3 | Very high | 119 Ų | 119 | 48.6 Ų | 48.6 | 56% | 0.556 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.3 | 169 | -174.5 | 177.3 | 9.2 | 0 | 0 | 109.6 | Q183 L184 I195 | Q183-Q193 WeakPolarHBondContact CA-O 3.43Å; L184-Q193 PolarHBondContact N-O 3.43Å; L184-Q193 PolarHBondContact O-N 3.46Å; Q193-I195 HydrophobicContact CG-CD1 4.48Å; Q193-I195 HydrophobicContact CG-CG1 4.07Å |
| 194 | A | 91 | Very high | 90.9 | Very high | 46 Ų | 46 | 56 Ų | 56 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 131.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | M182 | M182-A194 CarbonylContact O-C 3.36Å; M182-A194 WeakPolarHBondContact O-CA 3.49Å |
| 195 | I | 91 | Very high | 90.5 | Very high | 26 Ų | 26 | 56.3 Ų | 56.3 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 132.3 | -176.6 | -54.6 | 175.7 | 0 | 0 | 0 | 108 | M182 L184 Q193 G197 F217 F219 | M182-I195 WeakPolarHBondContact CA-O 3.38Å; M182-I195 HydrophobicContact CB-CB 4.36Å; M182-I195 WeakPolarHBondContact CB-O 3.26Å; M182-I195 HydrophobicContact CE-CB 4.03Å; M182-I195 HydrophobicContact CE-CG2 3.64Å; M182-I195 PolarHBondContact N-O 3.29Å; M182-I195 PolarHBondContact O-N 3.2Å; L184-I195 HydrophobicContact CB-CD1 4.05Å; L184-I195 HydrophobicContact CD2-CD1 4.29Å; Q193-I195 HydrophobicContact CG-CD1 4.48Å; Q193-I195 HydrophobicContact CG-CG1 4.07Å; I195-G197 PolarHBondContact O-N 3.13Å; I195-F217 HydrophobicContact CD1-CE1 3.8Å; I195-F217 HydrophobicContact CD1-CZ 4.45Å; I195-F219 HydrophobicContact CG2-CD2 4.21Å; I195-F219 HydrophobicContact CG2-CE2 3.65Å; I195-F219 HydrophobicContact CG2-CZ 3.89Å |
| 196 | E | 88.1 | Confident | 90 | Very high | 89 Ų | 89 | 59.6 Ų | 59.6 | 42% | 0.416 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 122.1 | 169.4 | -169.4 | -176.3 | 153.4 | 0 | 0 | 109 | V179 G180 S221 | V179-E196 HydrophobicContact CG1-CG 4.49Å; G180-E196 CarbonylContact O-C 3.51Å; G180-E196 WeakPolarHBondContact O-CA 3.42Å; E196-S221 WeakPolarHBondContact O-CB 3.47Å |
| 197 | G | 89.2 | Confident | 89.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | 179 | 157 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | G180 M182 I195 | G180-G197 CarbonylContact C-O 3.57Å; G180-G197 WeakPolarHBondContact CA-O 3.4Å; G180-G197 PolarHBondContact O-N 3.48Å; M182-G197 WeakPolarHBondContact CG-O 3.43Å; I195-G197 PolarHBondContact O-N 3.13Å | ||
| 198 | H | 86.7 | Confident | 88.3 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.009 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -107.5 | -39.9 | -166.6 | -62.6 | 73.3 | 0 | 0 | 0 | 112.6 | V178 G180 A220 R222 F261 P262 | V178-H198 PolarHBondContact O-NE2 3.37Å; G180-H198 PolarHBondContact N-NE2 3.41Å; H198-A220 PolarHBondContact N-O 2.93Å; H198-R222 PolarHBondContact CE1-N 3.04Å; H198-R222 PolarHBondContact CE1-O 3.41Å; H198-R222 VanDerWaalsContact CE1-O 3.27Å; H198-R222 PolarHBondContact ND1-N 3.2Å; H198-R222 VanDerWaalsContact ND1-N 3.19Å; H198-F261 AromaticContact CD2-CD2 3.91Å; H198-P262 HydrophobicContact CB-CB 4.4Å; H198-P262 WeakPolarHBondContact CB-O 3.41Å |
| 199 | A | 90.4 | Very high | 87.5 | Confident | 3 Ų | 3 | 62 Ų | 62 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 140.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | F219 A220 P262 M265 L276 | A199-F219 CarbonylContact O-C 3.49Å; A199-F219 WeakPolarHBondContact O-CA 3.36Å; A199-A220 PolarHBondContact O-N 3.3Å; A199-P262 HydrophobicContact CB-CB 3.94Å; A199-M265 HydrophobicContact CB-CB 4.08Å; A199-L276 HydrophobicContact CB-CD1 4.35Å |
| 200 | A | 93.1 | Very high | 87 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 157.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R158 L167 I169 M182 F217 C218 F219 | R158-A200 VanDerWaalsContact CD-O 3.24Å; R158-A200 WeakPolarHBondContact CD-O 3.3Å; R158-A200 PolarHBondContact NE-O 3.47Å; R158-A200 VanDerWaalsContact NE-O 3.16Å; L167-A200 HydrophobicContact CD2-CB 3.56Å; I169-A200 HydrophobicContact CD1-CB 4.06Å; M182-A200 HydrophobicContact SD-CB 3.79Å; A200-F217 HydrophobicContact CB-CE2 3.79Å; A200-F217 HydrophobicContact CB-CZ 4.21Å; A200-C218 CarbonylContact C-O 3.57Å; A200-C218 WeakPolarHBondContact CA-O 3.23Å; A200-C218 WeakPolarHBondContact CB-O 3.3Å; A200-F219 HydrophobicContact CB-CB 3.58Å |
| 201 | A | 92.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 154 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | C218 M265 T267 | A201-C218 PolarHBondContact N-O 2.81Å; A201-C218 PolarHBondContact O-N 3.33Å; A201-M265 HydrophobicContact CB-CB 4.39Å; A201-M265 HydrophobicContact CB-CG 4Å; A201-M265 HydrophobicContact CB-SD 4.17Å; A201-T267 HydrophobicContact CB-CG2 3.9Å |
| 202 | F | 93.9 | Very high | 85.7 | Confident | 21 Ų | 21 | 50 Ų | 50 | 9% | 0.092 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 136.7 | 168.2 | -66.9 | -74.9 | 0 | 0 | 0 | 109.3 | R158 C159 D160 W165 L167 L184 T215 L216 F217 V234 T267 | R158-F202 HydrophobicContact CB-CD2 4.46Å; R158-F202 HydrophobicContact CB-CE2 4.45Å; C159-F202 WeakPolarHBondContact O-CD2 3.49Å; D160-F202 HydrophobicContact CB-CB 4.15Å; D160-F202 HydrophobicContact CB-CD1 4.13Å; D160-F202 HydrophobicContact CB-CD2 4.19Å; D160-F202 HydrophobicContact CB-CG 3.91Å; W165-F202 HydrophobicContact CB-CE1 3.87Å; W165-F202 HydrophobicContact CB-CZ 3.79Å; L167-F202 HydrophobicContact CB-CE2 3.97Å; L167-F202 HydrophobicContact CB-CZ 4.17Å; L184-F202 HydrophobicContact CD1-CE1 4.1Å; L184-F202 HydrophobicContact CD1-CZ 3.67Å; F202-T215 HydrophobicContact CD1-CG2 4.45Å; F202-L216 CarbonylContact C-O 2.91Å; F202-L216 VanDerWaalsContact CA-O 3.32Å; F202-L216 WeakPolarHBondContact CA-O 3.44Å; F202-F217 HydrophobicContact CD1-CB 4.21Å; F202-F217 HydrophobicContact CD1-CD2 4.03Å; F202-F217 HydrophobicContact CE1-CB 4.05Å; F202-F217 AromaticContact CE1-CD2 3.62Å; F202-F217 HydrophobicContact CE1-CD2 3.62Å; F202-F217 HydrophobicContact CE1-CE2 4.47Å; F202-F217 HydrophobicContact CE1-CG 4.13Å; F202-F217 HydrophobicContact CZ-CD2 4.05Å; F202-F217 HydrophobicContact CZ-CE2 4.49Å; F202-V234 HydrophobicContact CE1-CG2 4.42Å; F202-T267 PolarHBondContact O-OG1 3.33Å |
| 203 | A | 90.8 | Very high | 85.4 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 5% | 0.05 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 143 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L216 T267 I288 | A203-L216 HydrophobicContact CB-CB 4.45Å; A203-L216 PolarHBondContact N-O 3.14Å; A203-L216 PolarHBondContact O-N 3.16Å; A203-T267 HydrophobicContact CB-CG2 4.06Å; A203-I288 HydrophobicContact CB-CD1 3.93Å |
| 204 | R | 86.9 | Confident | 85.1 | Confident | 157 Ų | 157 | 43.7 Ų | 43.7 | 59% | 0.592 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 117.6 | 170.2 | -169.7 | 171 | -170.8 | -170.2 | -0.5 | 107.5 | P213 T214 | R204-P213 HydrophobicContact CG-CB 3.6Å; R204-P213 HydrophobicContact CG-CG 4.31Å; R204-T214 WeakPolarHBondContact CA-O 3.35Å |
| 205 | Y | 86.1 | Confident | 85.1 | Confident | 15 Ų | 15 | 43.1 Ų | 43.1 | 6% | 0.059 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 145.4 | -171.6 | -171.6 | -107.1 | 0 | 0 | 0 | 110.6 | P207 P213 T214 L216 F244 I288 E289 R355 | Y205-P207 HydrophobicContact CD1-CG 4.16Å; Y205-P207 HydrophobicContact CE1-CB 4.48Å; Y205-P207 HydrophobicContact CE1-CG 4.5Å; Y205-P207 WeakPolarHBondContact O-CD 3.46Å; Y205-P213 CarbonylContact O-C 3.6Å; Y205-P213 WeakPolarHBondContact O-CA 3.26Å; Y205-T214 PolarHBondContact N-O 3.18Å; Y205-T214 PolarHBondContact O-N 3.41Å; Y205-T214 PolarHBondContact O-OG1 3.14Å; Y205-L216 HydrophobicContact CD1-CD1 4.3Å; Y205-L216 HydrophobicContact CG-CD1 4.19Å; Y205-F244 HydrophobicContact CD1-CE2 4.21Å; Y205-F244 HydrophobicContact CE1-CE2 4.3Å; Y205-I288 HydrophobicContact CD1-CG2 4.37Å; Y205-I288 HydrophobicContact CD2-CG2 4.14Å; Y205-I288 HydrophobicContact CG-CG2 4.05Å; Y205-E289 HydrophobicContact CE1-CB 4.12Å; Y205-E289 WeakPolarHBondContact OH-CB 3.19Å; Y205-E289 VanDerWaalsContact OH-CD 3.31Å; Y205-E289 PolarHBondContact OH-OE2 3.06Å; Y205-R355 WeakPolarHBondContact OH-CD 3.47Å; Y205-R355 PolarHBondContact OH-NH1 3.23Å |
| 206 | I | 83.6 | Confident | 85.2 | Confident | 93 Ų | 93 | 41.9 Ų | 41.9 | 48% | 0.477 | 24% | 0.238 | S | C | . | . | trans | -109 | 103.9 | 173.7 | -56.1 | 177.1 | 0 | 0 | 0 | 107 | N210 P213 | I206-N210 VanDerWaalsContact CG2-O 3.25Å; I206-N210 WeakPolarHBondContact CG2-O 3.35Å; I206-P213 HydrophobicContact CD1-CB 4.47Å; I206-P213 HydrophobicContact CG1-CB 3.78Å | ||
| 207 | P | 77.2 | Confident | 85.5 | Confident | 15 Ų | 15 | 37.8 Ų | 37.8 | 10% | 0.097 | 22% | 0.219 | C | C | . | . | trans | -63 | 149.4 | 175.4 | -21 | 33.1 | 0 | 0 | 0 | 111.9 | Y205 G209 N210 F244 | Y205-P207 HydrophobicContact CD1-CG 4.16Å; Y205-P207 HydrophobicContact CE1-CB 4.48Å; Y205-P207 HydrophobicContact CE1-CG 4.5Å; Y205-P207 WeakPolarHBondContact O-CD 3.46Å; P207-G209 PolarHBondContact O-N 3.47Å; P207-N210 HydrophobicContact CB-CB 4.36Å; P207-N210 HydrophobicContact CG-CB 4.48Å; P207-N210 PolarHBondContact O-N 2.95Å; P207-F244 HydrophobicContact CB-CD2 4.44Å; P207-F244 HydrophobicContact CG-CD2 3.96Å | ||
| 208 | E | 72.5 | Confident | 85.7 | Confident | 152 Ų | 152 | 37.8 Ų | 37.8 | 71% | 0.71 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 123.1 | 174.2 | -165.6 | 177.7 | 177.4 | 0 | 0 | 110.2 | ||
| 209 | G | 71 | Confident | 86 | Confident | 81 Ų | 81 | 38.3 Ų | 38.3 | 84% | 0.835 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.7 | -9.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | P207 | P207-G209 PolarHBondContact O-N 3.47Š|
| 210 | N | 78.3 | Confident | 86.1 | Confident | 16 Ų | 16 | 38.2 Ų | 38.2 | 9% | 0.086 | 22% | 0.22 | C | C | . | . | trans | -94.5 | 141 | 175.4 | -78.6 | -10.9 | 0 | 0 | 0 | 111.8 | I206 P207 N241 Q242 | I206-N210 VanDerWaalsContact CG2-O 3.25Å; I206-N210 WeakPolarHBondContact CG2-O 3.35Å; P207-N210 HydrophobicContact CB-CB 4.36Å; P207-N210 HydrophobicContact CG-CB 4.48Å; P207-N210 PolarHBondContact O-N 2.95Å; N210-N241 HydrophobicContact CB-CB 4.28Å; N210-N241 WeakPolarHBondContact OD1-CA 3.25Å; N210-Q242 PolarHBondContact ND2-O 3.14Å; N210-Q242 PolarHBondContact OD1-N 2.93Å | ||
| 211 | A | 75 | Confident | 85.8 | Confident | 88 Ų | 88 | 39 Ų | 39 | 73% | 0.727 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -85.6 | -32.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N241 | A211-N241 PolarHBondContact N-OD1 3.47Š|
| 212 | N | 79.6 | Confident | 85.4 | Confident | 73 Ų | 73 | 41.8 Ų | 41.8 | 39% | 0.39 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -106.3 | 149.3 | -175.5 | -69 | -49.7 | 0 | 0 | 0 | 111.3 | P238 A239 N241 | N212-P238 HydrophobicContact CB-CB 3.68Å; N212-P238 HydrophobicContact CB-CG 4.17Å; N212-A239 PolarHBondContact ND2-O 2.81Å; N212-N241 PolarHBondContact N-OD1 3.39Å; N212-N241 VanDerWaalsContact N-OD1 3.13Å; N212-N241 PolarHBondContact O-ND2 2.85Å |
| 213 | P | 83.2 | Confident | 84.7 | Confident | 33 Ų | 33 | 44 Ų | 44 | 21% | 0.214 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 137 | 174.5 | 27.5 | -34.3 | 0 | 0 | 0 | 112.7 | R204 Y205 I206 | R204-P213 HydrophobicContact CG-CB 3.6Å; R204-P213 HydrophobicContact CG-CG 4.31Å; Y205-P213 CarbonylContact O-C 3.6Å; Y205-P213 WeakPolarHBondContact O-CA 3.26Å; I206-P213 HydrophobicContact CD1-CB 4.47Å; I206-P213 HydrophobicContact CG1-CB 3.78Å |
| 214 | T | 87.1 | Confident | 83.7 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 152.3 | 174.7 | 58.6 | 0 | 0 | 0 | 0 | 111.4 | R204 Y205 E233 P238 N241 | R204-T214 WeakPolarHBondContact CA-O 3.35Å; Y205-T214 PolarHBondContact N-O 3.18Å; Y205-T214 PolarHBondContact O-N 3.41Å; Y205-T214 PolarHBondContact O-OG1 3.14Å; T214-E233 WeakPolarHBondContact CB-OE1 3.24Å; T214-E233 WeakPolarHBondContact CG2-OE1 3.32Å; T214-P238 HydrophobicContact CG2-CG 4.39Å; T214-N241 WeakPolarHBondContact CG2-ND2 3.4Å |
| 215 | T | 90.5 | Very high | 83.1 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 20% | 0.202 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 117 | 174.7 | -56.9 | 0 | 0 | 0 | 0 | 110.1 | D160 F202 V234 | D160-T215 HydrophobicContact CB-CG2 4.05Å; F202-T215 HydrophobicContact CD1-CG2 4.45Å; T215-V234 HydrophobicContact CG2-CG2 3.78Å; T215-V234 WeakPolarHBondContact O-CG2 3.22Å; T215-V234 PolarHBondContact O-N 3.12Å |
| 216 | L | 92.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 136.8 | 178.1 | -55.9 | -178.3 | 0 | 0 | 0 | 110.5 | F202 A203 Y205 I231 I232 E233 F244 I288 | F202-L216 CarbonylContact C-O 2.91Å; F202-L216 VanDerWaalsContact CA-O 3.32Å; F202-L216 WeakPolarHBondContact CA-O 3.44Å; A203-L216 HydrophobicContact CB-CB 4.45Å; A203-L216 PolarHBondContact N-O 3.14Å; A203-L216 PolarHBondContact O-N 3.16Å; Y205-L216 HydrophobicContact CD1-CD1 4.3Å; Y205-L216 HydrophobicContact CG-CD1 4.19Å; L216-I231 HydrophobicContact CB-CG2 4.46Å; L216-I231 HydrophobicContact CD1-CG2 4.04Å; L216-I232 CarbonylContact C-O 3.54Å; L216-I232 WeakPolarHBondContact CA-O 3.41Å; L216-E233 HydrophobicContact CD2-CB 3.91Å; L216-E233 HydrophobicContact CD2-CG 4.46Å; L216-F244 HydrophobicContact CD1-CE1 4.42Å; L216-F244 HydrophobicContact CD1-CE2 4.37Å; L216-F244 HydrophobicContact CD1-CZ 4.3Å; L216-F244 HydrophobicContact CD2-CB 4.03Å; L216-F244 HydrophobicContact CD2-CD1 3.88Å; L216-F244 HydrophobicContact CD2-CD2 4.41Å; L216-F244 HydrophobicContact CD2-CE1 4.46Å; L216-F244 HydrophobicContact CD2-CG 3.85Å; L216-I288 HydrophobicContact CD1-CG2 3.47Å; L216-I288 VanDerWaalsContact CD1-CG2 3.47Å |
| 217 | F | 94.2 | Very high | 82.9 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 1% | 0.013 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 111.5 | 168.2 | 177.4 | -127.6 | 0 | 0 | 0 | 108.9 | L167 M182 L184 I195 A200 F202 F219 I232 V234 | L167-F217 HydrophobicContact CD1-CE2 3.93Å; L167-F217 HydrophobicContact CD1-CZ 3.81Å; L167-F217 HydrophobicContact CD2-CE2 3.61Å; L167-F217 HydrophobicContact CD2-CZ 4.21Å; L167-F217 HydrophobicContact CG-CE2 4.36Å; M182-F217 HydrophobicContact CE-CZ 4.26Å; L184-F217 HydrophobicContact CD2-CD1 4.09Å; L184-F217 HydrophobicContact CD2-CE1 4.16Å; I195-F217 HydrophobicContact CD1-CE1 3.8Å; I195-F217 HydrophobicContact CD1-CZ 4.45Å; A200-F217 HydrophobicContact CB-CE2 3.79Å; A200-F217 HydrophobicContact CB-CZ 4.21Å; F202-F217 HydrophobicContact CD1-CB 4.21Å; F202-F217 HydrophobicContact CD1-CD2 4.03Å; F202-F217 HydrophobicContact CE1-CB 4.05Å; F202-F217 AromaticContact CE1-CD2 3.62Å; F202-F217 HydrophobicContact CE1-CD2 3.62Å; F202-F217 HydrophobicContact CE1-CE2 4.47Å; F202-F217 HydrophobicContact CE1-CG 4.13Å; F202-F217 HydrophobicContact CZ-CD2 4.05Å; F202-F217 HydrophobicContact CZ-CE2 4.49Å; F217-F219 AromaticContact CD1-CD1 3.59Å; F217-F219 HydrophobicContact CD1-CD1 3.59Å; F217-F219 AromaticContact CD1-CE1 3.94Å; F217-F219 HydrophobicContact CD1-CE1 3.94Å; F217-F219 HydrophobicContact CE1-CB 4.26Å; F217-F219 AromaticContact CE1-CD1 3.2Å; F217-F219 HydrophobicContact CE1-CD1 3.2Å; F217-F219 AromaticContact CE1-CE1 3.64Å; F217-F219 HydrophobicContact CE1-CE1 3.64Å; F217-F219 AromaticContact CE1-CG 3.91Å; F217-F219 HydrophobicContact CE1-CG 3.91Å; F217-F219 HydrophobicContact CE2-CB 4.33Å; F217-F219 HydrophobicContact CG-CD1 4.41Å; F217-F219 HydrophobicContact CZ-CB 3.89Å; F217-F219 AromaticContact CZ-CD1 3.75Å; F217-F219 HydrophobicContact CZ-CD1 3.75Å; F217-F219 HydrophobicContact CZ-CG 4.03Å; F217-I232 PolarHBondContact N-O 2.83Å; F217-I232 PolarHBondContact O-N 3.3Å; F217-V234 HydrophobicContact CB-CG1 3.51Å; F217-V234 HydrophobicContact CB-CG2 4.31Å; F217-V234 HydrophobicContact CG-CG1 4.36Å |
| 218 | C | 94.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.4 | 178.5 | -55.9 | 0 | 0 | 0 | 0 | 108.7 | A200 A201 H230 M265 I274 | A200-C218 CarbonylContact C-O 3.57Å; A200-C218 WeakPolarHBondContact CA-O 3.23Å; A200-C218 WeakPolarHBondContact CB-O 3.3Å; A201-C218 PolarHBondContact N-O 2.81Å; A201-C218 PolarHBondContact O-N 3.33Å; C218-H230 CarbonylContact C-O 3.54Å; C218-H230 VanDerWaalsContact CA-O 3.23Å; C218-H230 WeakPolarHBondContact CA-O 3.4Å; C218-M265 HydrophobicContact CB-SD 3.77Å; C218-M265 VanDerWaalsContact O-SD 3.38Å; C218-I274 HydrophobicContact CB-CD1 3.95Å |
| 219 | F | 94.2 | Very high | 84.6 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 144.6 | 176.4 | 69.4 | -85.4 | 0 | 0 | 0 | 112.5 | M182 I195 A199 A200 F217 H230 I232 | M182-F219 HydrophobicContact CE-CB 3.79Å; M182-F219 HydrophobicContact CE-CD2 3.57Å; M182-F219 HydrophobicContact CE-CE2 4.31Å; M182-F219 HydrophobicContact CE-CG 3.8Å; M182-F219 HydrophobicContact SD-CB 4.31Å; I195-F219 HydrophobicContact CG2-CD2 4.21Å; I195-F219 HydrophobicContact CG2-CE2 3.65Å; I195-F219 HydrophobicContact CG2-CZ 3.89Å; A199-F219 CarbonylContact O-C 3.49Å; A199-F219 WeakPolarHBondContact O-CA 3.36Å; A200-F219 HydrophobicContact CB-CB 3.58Å; F217-F219 AromaticContact CD1-CD1 3.59Å; F217-F219 HydrophobicContact CD1-CD1 3.59Å; F217-F219 AromaticContact CD1-CE1 3.94Å; F217-F219 HydrophobicContact CD1-CE1 3.94Å; F217-F219 HydrophobicContact CE1-CB 4.26Å; F217-F219 AromaticContact CE1-CD1 3.2Å; F217-F219 HydrophobicContact CE1-CD1 3.2Å; F217-F219 AromaticContact CE1-CE1 3.64Å; F217-F219 HydrophobicContact CE1-CE1 3.64Å; F217-F219 AromaticContact CE1-CG 3.91Å; F217-F219 HydrophobicContact CE1-CG 3.91Å; F217-F219 HydrophobicContact CE2-CB 4.33Å; F217-F219 HydrophobicContact CG-CD1 4.41Å; F217-F219 HydrophobicContact CZ-CB 3.89Å; F217-F219 AromaticContact CZ-CD1 3.75Å; F217-F219 HydrophobicContact CZ-CD1 3.75Å; F217-F219 HydrophobicContact CZ-CG 4.03Å; F219-H230 HydrophobicContact CD1-CB 3.8Å; F219-H230 HydrophobicContact CD2-CB 4.3Å; F219-H230 HydrophobicContact CE1-CB 3.43Å; F219-H230 VanDerWaalsContact CE1-CB 3.43Å; F219-H230 HydrophobicContact CE2-CB 3.98Å; F219-H230 AromaticContact CE2-CD2 3.41Å; F219-H230 VanDerWaalsContact CE2-CD2 3.41Å; F219-H230 WeakPolarHBondContact CE2-CD2 3.24Å; F219-H230 AromaticContact CE2-CG 3.94Å; F219-H230 HydrophobicContact CG-CB 4.24Å; F219-H230 HydrophobicContact CZ-CB 3.53Å; F219-H230 AromaticContact CZ-CD2 3.58Å; F219-H230 AromaticContact CZ-CG 3.66Å; F219-H230 PolarHBondContact N-O 2.63Å; F219-H230 PolarHBondContact O-N 3.19Å; F219-I232 HydrophobicContact CE1-CD1 3.79Å; F219-I232 HydrophobicContact CE1-CG1 4.38Å; F219-I232 HydrophobicContact CZ-CD1 4.38Å |
| 220 | A | 92.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | H198 A199 K228 L229 P262 M265 L276 | H198-A220 PolarHBondContact N-O 2.93Å; A199-A220 PolarHBondContact O-N 3.3Å; A220-K228 CarbonylContact C-O 3.58Å; A220-K228 VanDerWaalsContact CA-O 3.3Å; A220-K228 WeakPolarHBondContact CA-O 3.27Å; A220-L229 HydrophobicContact CB-CD1 4.44Å; A220-P262 HydrophobicContact CB-CB 3.95Å; A220-P262 HydrophobicContact CB-CG 3.67Å; A220-M265 HydrophobicContact CB-CE 3.8Å; A220-L276 HydrophobicContact CB-CD1 4.09Å; A220-L276 HydrophobicContact CB-CD2 4.24Å |
| 221 | S | 86.9 | Confident | 86.4 | Confident | 17 Ų | 17 | 38 Ų | 38 | 12% | 0.119 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 130.1 | 176.7 | 63.3 | 0 | 0 | 0 | 0 | 110.1 | E196 C227 K228 | E196-S221 WeakPolarHBondContact O-CB 3.47Å; S221-C227 CarbonylContact O-C 3.54Å; S221-C227 VanDerWaalsContact O-CA 3.23Å; S221-C227 WeakPolarHBondContact O-CA 3.41Å; S221-C227 PolarHBondContact O-SG 3.38Å; S221-C227 VanDerWaalsContact O-SG 3.36Å; S221-K228 PolarHBondContact N-O 3.12Å; S221-K228 PolarHBondContact O-N 3.19Å |
| 222 | R | 83.4 | Confident | 87.2 | Confident | 59 Ų | 59 | 35.9 Ų | 35.9 | 22% | 0.223 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 106.1 | 174.4 | -175.9 | 175.7 | 176.3 | 169.4 | 4.9 | 109.9 | H198 C227 Q258 D260 | H198-R222 PolarHBondContact CE1-N 3.04Å; H198-R222 PolarHBondContact CE1-O 3.41Å; H198-R222 VanDerWaalsContact CE1-O 3.27Å; H198-R222 PolarHBondContact ND1-N 3.2Å; H198-R222 VanDerWaalsContact ND1-N 3.19Å; R222-C227 HydrophobicContact CB-CB 4Å; R222-C227 HydrophobicContact CG-CB 4.03Å; R222-Q258 PolarHBondContact NH1-O 3.33Å; R222-Q258 PolarHBondContact NH2-O 2.96Å; R222-D260 VanDerWaalsContact NH1-N 3.19Å; R222-D260 PolarHBondContact NH1-O 2.98Å |
| 223 | N | 79.9 | Confident | 87.8 | Confident | 68 Ų | 68 | 33.9 Ų | 33.9 | 36% | 0.364 | 18% | 0.184 | S | C | . | . | trans | -88.3 | -174.4 | 172 | 71.6 | 22.8 | 0 | 0 | 0 | 110.5 | Q225 A226 | N223-Q225 PolarHBondContact O-N 3.03Å; N223-Q225 VanDerWaalsContact O-N 3.16Å; N223-Q225 PolarHBondContact OD1-N 3.45Å; N223-A226 PolarHBondContact N-O 3.13Å; N223-A226 PolarHBondContact OD1-N 3.36Å; N223-A226 PolarHBondContact OD1-O 3.26Å | ||
| 224 | A | 69.9 | Low | 88 | Confident | 76 Ų | 76 | 33.2 Ų | 33.2 | 63% | 0.628 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -63.6 | -20.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R177 | R177-A224 PolarHBondContact NH1-O 3.18Š|
| 225 | Q | 73.8 | Confident | 87.8 | Confident | 186 Ų | 186 | 35 Ų | 35 | 87% | 0.869 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -108.3 | -41.5 | -172.4 | -66 | 178.7 | -11.5 | 0 | 0 | 113.1 | N223 | N223-Q225 PolarHBondContact O-N 3.03Å; N223-Q225 VanDerWaalsContact O-N 3.16Å; N223-Q225 PolarHBondContact OD1-N 3.45Å |
| 226 | A | 80.4 | Confident | 87.4 | Confident | 36 Ų | 36 | 41.6 Ų | 41.6 | 30% | 0.298 | 23% | 0.226 | S | C | . | . | trans | -152.6 | 164.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N223 | N223-A226 PolarHBondContact N-O 3.13Å; N223-A226 PolarHBondContact OD1-N 3.36Å; N223-A226 PolarHBondContact OD1-O 3.26Å | ||
| 227 | C | 85.9 | Confident | 86.7 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.034 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 131.7 | 168.4 | -172.6 | 0 | 0 | 0 | 0 | 110 | S221 R222 D250 V251 F253 | S221-C227 CarbonylContact O-C 3.54Å; S221-C227 VanDerWaalsContact O-CA 3.23Å; S221-C227 WeakPolarHBondContact O-CA 3.41Å; S221-C227 PolarHBondContact O-SG 3.38Å; S221-C227 VanDerWaalsContact O-SG 3.36Å; R222-C227 HydrophobicContact CB-CB 4Å; R222-C227 HydrophobicContact CG-CB 4.03Å; C227-D250 WeakPolarHBondContact O-CA 3.16Å; C227-V251 HydrophobicContact CB-CB 4.12Å; C227-V251 PolarHBondContact O-N 3.37Å; C227-F253 HydrophobicContact CB-CE2 3.49Å; C227-F253 VanDerWaalsContact CB-CE2 3.49Å; C227-F253 HydrophobicContact CB-CZ 4.18Å |
| 228 | K | 91.1 | Very high | 86 | Confident | 80 Ų | 80 | 45.5 Ų | 45.5 | 35% | 0.348 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.7 | 179 | -66.6 | -171.1 | 177.4 | -168.5 | 0 | 111.1 | A220 S221 I249 D250 | A220-K228 CarbonylContact C-O 3.58Å; A220-K228 VanDerWaalsContact CA-O 3.3Å; A220-K228 WeakPolarHBondContact CA-O 3.27Å; S221-K228 PolarHBondContact N-O 3.12Å; S221-K228 PolarHBondContact O-N 3.19Å; K228-I249 CarbonylContact C-O 3.57Å; K228-I249 WeakPolarHBondContact CA-O 3.35Å; K228-D250 WeakPolarHBondContact CE-OD1 3.36Å; K228-D250 WeakPolarHBondContact CG-OD1 3.34Å |
| 229 | L | 93.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 120.7 | 165.5 | 176.6 | 63.1 | 0 | 0 | 0 | 108.7 | A220 I231 A248 I249 V251 M265 I274 Y286 | A220-L229 HydrophobicContact CB-CD1 4.44Å; L229-I231 HydrophobicContact CG-CG1 4.49Å; L229-A248 CarbonylContact O-C 3.48Å; L229-A248 WeakPolarHBondContact O-CA 3.33Å; L229-I249 HydrophobicContact CB-CB 4.45Å; L229-I249 PolarHBondContact N-O 2.98Å; L229-I249 PolarHBondContact O-N 3.39Å; L229-V251 HydrophobicContact CB-CG2 3.92Å; L229-M265 HydrophobicContact CD1-CE 3.38Å; L229-M265 HydrophobicContact CD1-SD 4.35Å; L229-I274 HydrophobicContact CD1-CD1 4.41Å; L229-I274 HydrophobicContact CD2-CD1 4.08Å; L229-Y286 HydrophobicContact CD2-CD1 4.04Å; L229-Y286 HydrophobicContact CD2-CD2 3.64Å; L229-Y286 HydrophobicContact CD2-CE1 4.48Å; L229-Y286 HydrophobicContact CD2-CE2 4.11Å; L229-Y286 HydrophobicContact CD2-CG 3.6Å |
| 230 | H | 93.9 | Very high | 84.4 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 13% | 0.125 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 136.1 | 176.3 | -69.2 | -70.1 | 0 | 0 | 0 | 110.4 | C218 F219 I232 K247 A248 | C218-H230 CarbonylContact C-O 3.54Å; C218-H230 VanDerWaalsContact CA-O 3.23Å; C218-H230 WeakPolarHBondContact CA-O 3.4Å; F219-H230 HydrophobicContact CD1-CB 3.8Å; F219-H230 HydrophobicContact CD2-CB 4.3Å; F219-H230 HydrophobicContact CE1-CB 3.43Å; F219-H230 VanDerWaalsContact CE1-CB 3.43Å; F219-H230 HydrophobicContact CE2-CB 3.98Å; F219-H230 AromaticContact CE2-CD2 3.41Å; F219-H230 VanDerWaalsContact CE2-CD2 3.41Å; F219-H230 WeakPolarHBondContact CE2-CD2 3.24Å; F219-H230 AromaticContact CE2-CG 3.94Å; F219-H230 HydrophobicContact CG-CB 4.24Å; F219-H230 HydrophobicContact CZ-CB 3.53Å; F219-H230 AromaticContact CZ-CD2 3.58Å; F219-H230 AromaticContact CZ-CG 3.66Å; F219-H230 PolarHBondContact N-O 2.63Å; F219-H230 PolarHBondContact O-N 3.19Å; H230-I232 HydrophobicContact CB-CD1 4.43Å; H230-I232 HydrophobicContact CB-CG1 4.39Å; H230-K247 WeakPolarHBondContact CA-O 3.3Å; H230-A248 WeakPolarHBondContact ND1-CB 3.49Å |
| 231 | I | 93.8 | Very high | 84 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 116.1 | 174.3 | -53 | 174.3 | 0 | 0 | 0 | 106.7 | L216 L229 F244 K247 I249 I274 I288 | L216-I231 HydrophobicContact CB-CG2 4.46Å; L216-I231 HydrophobicContact CD1-CG2 4.04Å; L229-I231 HydrophobicContact CG-CG1 4.49Å; I231-F244 HydrophobicContact CG2-CE1 3.77Å; I231-F244 HydrophobicContact CG2-CZ 4.26Å; I231-K247 HydrophobicContact CB-CB 4.23Å; I231-K247 PolarHBondContact N-O 3.18Å; I231-K247 VanDerWaalsContact N-O 3.14Å; I231-K247 PolarHBondContact O-N 3.44Å; I231-I249 HydrophobicContact CD1-CD1 4.22Å; I231-I274 HydrophobicContact CD1-CD1 3.67Å; I231-I274 HydrophobicContact CG1-CD1 3.97Å; I231-I288 WeakPolarHBondContact CD1-O 3.45Å; I231-I288 HydrophobicContact CG2-CG2 4.39Å |
| 232 | I | 92.1 | Very high | 83.7 | Confident | 42 Ų | 42 | 60.6 Ų | 60.6 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 135.9 | -171.4 | -38.6 | -173.8 | 0 | 0 | 0 | 109.5 | L216 F217 F219 H230 K246 | L216-I232 CarbonylContact C-O 3.54Å; L216-I232 WeakPolarHBondContact CA-O 3.41Å; F217-I232 PolarHBondContact N-O 2.83Å; F217-I232 PolarHBondContact O-N 3.3Å; F219-I232 HydrophobicContact CE1-CD1 3.79Å; F219-I232 HydrophobicContact CE1-CG1 4.38Å; F219-I232 HydrophobicContact CZ-CD1 4.38Å; H230-I232 HydrophobicContact CB-CD1 4.43Å; H230-I232 HydrophobicContact CB-CG1 4.39Å; I232-K246 HydrophobicContact CD1-CD 4.06Å; I232-K246 HydrophobicContact CD1-CG 4.4Å; I232-K246 HydrophobicContact CG1-CD 4.31Å; I232-K246 HydrophobicContact CG1-CG 4.11Å; I232-K246 HydrophobicContact CG2-CD 4.5Å |
| 233 | E | 90.8 | Very high | 83.8 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 15% | 0.145 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 135.1 | 168.2 | -175 | 173.7 | -167.4 | 0 | 0 | 111 | T214 L216 P243 F244 | T214-E233 WeakPolarHBondContact CB-OE1 3.24Å; T214-E233 WeakPolarHBondContact CG2-OE1 3.32Å; L216-E233 HydrophobicContact CD2-CB 3.91Å; L216-E233 HydrophobicContact CD2-CG 4.46Å; E233-P243 WeakPolarHBondContact OE2-CA 3.47Å; E233-F244 HydrophobicContact CB-CB 4.07Å; E233-F244 PolarHBondContact OE2-N 2.84Å |
| 234 | V | 88.7 | Confident | 84.2 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 12% | 0.115 | 37% | 0.365 | C | S | . | . | trans | -114.8 | 136.8 | 178.3 | -69.4 | 0 | 0 | 0 | 0 | 111 | W165 L184 F202 T215 F217 | W165-V234 HydrophobicContact CD2-CB 4.21Å; W165-V234 HydrophobicContact CD2-CG2 4.32Å; W165-V234 HydrophobicContact CG-CG2 4.19Å; W165-V234 HydrophobicContact CZ2-CB 4.09Å; L184-V234 HydrophobicContact CD2-CG1 4.46Å; F202-V234 HydrophobicContact CE1-CG2 4.42Å; T215-V234 HydrophobicContact CG2-CG2 3.78Å; T215-V234 WeakPolarHBondContact O-CG2 3.22Å; T215-V234 PolarHBondContact O-N 3.12Å; F217-V234 HydrophobicContact CB-CG1 3.51Å; F217-V234 HydrophobicContact CB-CG2 4.31Å; F217-V234 HydrophobicContact CG-CG1 4.36Å | ||
| 235 | G | 83.3 | Confident | 85 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 39% | 0.392 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 90.3 | -169.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 236 | Q | 80.6 | Confident | 85.7 | Confident | 172 Ų | 172 | 57.9 Ų | 57.9 | 80% | 0.804 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -87.7 | 131.2 | 176.2 | -168 | 161.9 | 3.5 | 0 | 0 | 108.9 | ||
| 237 | P | 78.9 | Confident | 86.2 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 31% | 0.305 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -55 | 140.1 | 178.1 | -25.6 | 33.2 | 0 | 0 | 0 | 111.2 | P243 | P237-P243 HydrophobicContact CG-CB 4.08Š|
| 238 | P | 79 | Confident | 86.4 | Confident | 39 Ų | 39 | 61.9 Ų | 61.9 | 25% | 0.253 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 146.7 | 175.3 | -24.8 | 33.5 | 0 | 0 | 0 | 112 | N212 T214 G240 N241 | N212-P238 HydrophobicContact CB-CB 3.68Å; N212-P238 HydrophobicContact CB-CG 4.17Å; T214-P238 HydrophobicContact CG2-CG 4.39Å; P238-G240 PolarHBondContact O-N 3.24Å; P238-N241 WeakPolarHBondContact O-CB 3.5Å; P238-N241 PolarHBondContact O-N 3.25Å |
| 239 | A | 76.6 | Confident | 86.4 | Confident | 95 Ų | 95 | 59.7 Ų | 59.7 | 79% | 0.785 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 125.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | N212 | N212-A239 PolarHBondContact ND2-O 2.81Š|
| 240 | G | 78.2 | Confident | 86.2 | Confident | 81 Ų | 81 | 64.7 Ų | 64.7 | 84% | 0.835 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.2 | -8.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | P238 | P238-G240 PolarHBondContact O-N 3.24Š|
| 241 | N | 83 | Confident | 85.9 | Confident | 19 Ų | 19 | 63.8 Ų | 63.8 | 10% | 0.102 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 143.8 | 177.9 | -76.2 | 7.8 | 0 | 0 | 0 | 112.9 | N210 A211 N212 T214 P238 | N210-N241 HydrophobicContact CB-CB 4.28Å; N210-N241 WeakPolarHBondContact OD1-CA 3.25Å; A211-N241 PolarHBondContact N-OD1 3.47Å; N212-N241 PolarHBondContact N-OD1 3.39Å; N212-N241 VanDerWaalsContact N-OD1 3.13Å; N212-N241 PolarHBondContact O-ND2 2.85Å; T214-N241 WeakPolarHBondContact CG2-ND2 3.4Å; P238-N241 WeakPolarHBondContact O-CB 3.5Å; P238-N241 PolarHBondContact O-N 3.25Å |
| 242 | Q | 82.3 | Confident | 85.5 | Confident | 153 Ų | 153 | 70.6 Ų | 70.6 | 72% | 0.715 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 140.9 | 161.1 | -61.9 | -172.1 | 11.4 | 0 | 0 | 110.4 | N210 | N210-Q242 PolarHBondContact ND2-O 3.14Å; N210-Q242 PolarHBondContact OD1-N 2.93Å |
| 243 | P | 83.9 | Confident | 85.1 | Confident | 94 Ų | 94 | 70.1 Ų | 70.1 | 61% | 0.61 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 140.4 | -178.9 | 26.9 | -33.6 | 0 | 0 | 0 | 111.9 | E233 P237 | E233-P243 WeakPolarHBondContact OE2-CA 3.47Å; P237-P243 HydrophobicContact CG-CB 4.08Å |
| 244 | F | 88.2 | Confident | 84.7 | Confident | 18 Ų | 18 | 69.4 Ų | 69.4 | 8% | 0.079 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 127.2 | 179.1 | -173.1 | -90 | 0 | 0 | 0 | 111.1 | Y205 P207 L216 I231 E233 K246 K247 | Y205-F244 HydrophobicContact CD1-CE2 4.21Å; Y205-F244 HydrophobicContact CE1-CE2 4.3Å; P207-F244 HydrophobicContact CB-CD2 4.44Å; P207-F244 HydrophobicContact CG-CD2 3.96Å; L216-F244 HydrophobicContact CD1-CE1 4.42Å; L216-F244 HydrophobicContact CD1-CE2 4.37Å; L216-F244 HydrophobicContact CD1-CZ 4.3Å; L216-F244 HydrophobicContact CD2-CB 4.03Å; L216-F244 HydrophobicContact CD2-CD1 3.88Å; L216-F244 HydrophobicContact CD2-CD2 4.41Å; L216-F244 HydrophobicContact CD2-CE1 4.46Å; L216-F244 HydrophobicContact CD2-CG 3.85Å; I231-F244 HydrophobicContact CG2-CE1 3.77Å; I231-F244 HydrophobicContact CG2-CZ 4.26Å; E233-F244 HydrophobicContact CB-CB 4.07Å; E233-F244 PolarHBondContact OE2-N 2.84Å; F244-K246 PolarHBondContact O-N 2.68Å; F244-K247 HydrophobicContact CE1-CG 4.36Å |
| 245 | P | 86.8 | Confident | 84.2 | Confident | 83 Ų | 83 | 73.1 Ų | 73.1 | 54% | 0.539 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 127.5 | -178.2 | 28.2 | -33.7 | 0 | 0 | 0 | 111.1 | K247 | P245-K247 PolarHBondContact O-N 3.03Š|
| 246 | K | 89.1 | Confident | 84.1 | Confident | 136 Ų | 136 | 78.6 Ų | 78.6 | 59% | 0.591 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 130 | 177.3 | 174.6 | 173 | 179 | -178.9 | 0 | 111.4 | I232 F244 | I232-K246 HydrophobicContact CD1-CD 4.06Å; I232-K246 HydrophobicContact CD1-CG 4.4Å; I232-K246 HydrophobicContact CG1-CD 4.31Å; I232-K246 HydrophobicContact CG1-CG 4.11Å; I232-K246 HydrophobicContact CG2-CD 4.5Å; F244-K246 PolarHBondContact O-N 2.68Å |
| 247 | K | 91.1 | Very high | 84.1 | Confident | 67 Ų | 67 | 70.8 Ų | 70.8 | 29% | 0.291 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 146.8 | 174.5 | -56.7 | -71.7 | -174.7 | 159.4 | 0 | 111.5 | H230 I231 F244 P245 I249 E289 | H230-K247 WeakPolarHBondContact CA-O 3.3Å; I231-K247 HydrophobicContact CB-CB 4.23Å; I231-K247 PolarHBondContact N-O 3.18Å; I231-K247 VanDerWaalsContact N-O 3.14Å; I231-K247 PolarHBondContact O-N 3.44Å; F244-K247 HydrophobicContact CE1-CG 4.36Å; P245-K247 PolarHBondContact O-N 3.03Å; K247-I249 HydrophobicContact CB-CD1 3.74Å; K247-E289 WeakPolarHBondContact CE-O 3.34Å |
| 248 | A | 90.8 | Very high | 83.9 | Confident | 59 Ų | 59 | 75 Ų | 75 | 49% | 0.488 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 105.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | L229 H230 | L229-A248 CarbonylContact O-C 3.48Å; L229-A248 WeakPolarHBondContact O-CA 3.33Å; H230-A248 WeakPolarHBondContact ND1-CB 3.49Å |
| 249 | I | 91 | Very high | 83.9 | Confident | 34 Ų | 34 | 79.8 Ų | 79.8 | 17% | 0.174 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 133.4 | -171.2 | -55.4 | 104.7 | 0 | 0 | 0 | 109.6 | K228 L229 I231 K247 Y286 G291 | K228-I249 CarbonylContact C-O 3.57Å; K228-I249 WeakPolarHBondContact CA-O 3.35Å; L229-I249 HydrophobicContact CB-CB 4.45Å; L229-I249 PolarHBondContact N-O 2.98Å; L229-I249 PolarHBondContact O-N 3.39Å; I231-I249 HydrophobicContact CD1-CD1 4.22Å; K247-I249 HydrophobicContact CB-CD1 3.74Å; I249-Y286 HydrophobicContact CG2-CE1 4.16Å; I249-G291 WeakPolarHBondContact CG1-O 3.31Å; I249-G291 WeakPolarHBondContact CG2-O 3.4Å |
| 250 | D | 88.9 | Confident | 84.3 | Confident | 105 Ų | 105 | 75.4 Ų | 75.4 | 56% | 0.561 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 128.5 | 174.4 | -67.7 | -43.6 | 0 | 0 | 0 | 111 | C227 K228 | C227-D250 WeakPolarHBondContact O-CA 3.16Å; K228-D250 WeakPolarHBondContact CE-OD1 3.36Å; K228-D250 WeakPolarHBondContact CG-OD1 3.34Å |
| 251 | V | 87.8 | Confident | 84.8 | Confident | 8 Ų | 8 | 72.7 Ų | 72.7 | 5% | 0.048 | 38% | 0.375 | C | S | . | . | trans | -90.5 | 113.8 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | C227 L229 F253 L276 | C227-V251 HydrophobicContact CB-CB 4.12Å; C227-V251 PolarHBondContact O-N 3.37Å; L229-V251 HydrophobicContact CB-CG2 3.92Å; V251-F253 HydrophobicContact CB-CE2 4.28Å; V251-F253 HydrophobicContact CG1-CE2 3.94Å; V251-F253 HydrophobicContact CG1-CZ 3.93Å; V251-F253 WeakPolarHBondContact O-CD2 3.42Å; V251-L276 HydrophobicContact CG1-CD2 4.16Å; V251-L276 HydrophobicContact CG2-CD2 4.21Å | ||
| 252 | Y | 84.2 | Confident | 85 | Confident | 142 Ų | 142 | 71.9 Ų | 71.9 | 56% | 0.557 | 37% | 0.371 | S | S | * | . | trans | -74.2 | 135 | 178.9 | 174.6 | -97.1 | 0 | 0 | 0 | 111.5 | P254 H284 M296 | Y252-P254 HydrophobicContact CE1-CG 4.4Å; Y252-H284 PolarHBondContact O-CE1 2.95Å; Y252-M296 HydrophobicContact CD1-CE 3.65Å; Y252-M296 HydrophobicContact CD1-SD 3.72Å; Y252-M296 HydrophobicContact CE1-SD 4.38Å; Y252-M296 HydrophobicContact CG-CE 4.21Å | ||
| 253 | F | 84 | Confident | 85.3 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | trans | -120.5 | 134 | 171 | -66.1 | -86.6 | 0 | 0 | 0 | 109.6 | C227 V251 D260 T278 | C227-F253 HydrophobicContact CB-CE2 3.49Å; C227-F253 VanDerWaalsContact CB-CE2 3.49Å; C227-F253 HydrophobicContact CB-CZ 4.18Å; V251-F253 HydrophobicContact CB-CE2 4.28Å; V251-F253 HydrophobicContact CG1-CE2 3.94Å; V251-F253 HydrophobicContact CG1-CZ 3.93Å; V251-F253 WeakPolarHBondContact O-CD2 3.42Å; F253-D260 HydrophobicContact CD1-CB 3.82Å; F253-D260 HydrophobicContact CE1-CB 4.09Å; F253-D260 WeakPolarHBondContact CE1-O 3.36Å; F253-T278 HydrophobicContact CD1-CG2 4.45Å; F253-T278 HydrophobicContact CE1-CG2 3.72Å | ||
| 254 | P | 81.8 | Confident | 85.5 | Confident | 16 Ų | 16 | 62.3 Ų | 62.3 | 10% | 0.104 | 32% | 0.322 | C | S | . | . | trans | -58.4 | 152.9 | 175 | -26 | 35.8 | 0 | 0 | 0 | 112.7 | Y252 E256 A257 Y282 | Y252-P254 HydrophobicContact CE1-CG 4.4Å; P254-E256 HydrophobicContact CB-CG 3.95Å; P254-E256 PolarHBondContact O-N 2.86Å; P254-E256 VanDerWaalsContact O-N 3.13Å; P254-A257 CarbonylContact O-C 3.53Å; P254-A257 WeakPolarHBondContact O-CA 3.41Å; P254-A257 PolarHBondContact O-N 3.49Å; P254-Y282 HydrophobicContact CG-CD1 4.4Å; P254-Y282 HydrophobicContact CG-CE1 3.75Å; P254-Y282 HydrophobicContact CG-CE2 4.33Å | ||
| 255 | P | 78.7 | Confident | 85.7 | Confident | 97 Ų | 97 | 61.5 Ų | 61.5 | 63% | 0.63 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -55.3 | -33 | -179 | -26.7 | 34.4 | 0 | 0 | 0 | 114.5 | A257 Q258 | P255-A257 VanDerWaalsContact C-N 3.26Å; P255-A257 PolarHBondContact O-N 3.5Å; P255-Q258 WeakPolarHBondContact O-CG 3.38Å |
| 256 | E | 81.3 | Confident | 86 | Confident | 154 Ų | 154 | 58.2 Ų | 58.2 | 72% | 0.72 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -72.1 | -15.9 | 176.2 | 51.4 | -177.5 | -151.4 | 0 | 0 | 114.1 | P254 Y282 | P254-E256 HydrophobicContact CB-CG 3.95Å; P254-E256 PolarHBondContact O-N 2.86Å; P254-E256 VanDerWaalsContact O-N 3.13Å; E256-Y282 PolarHBondContact OE1-OH 3.3Å |
| 257 | A | 80.3 | Confident | 86.1 | Confident | 7 Ų | 7 | 53.3 Ų | 53.3 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -118.2 | 30.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P254 P255 I259 D260 Y282 | P254-A257 CarbonylContact O-C 3.53Å; P254-A257 WeakPolarHBondContact O-CA 3.41Å; P254-A257 PolarHBondContact O-N 3.49Å; P255-A257 VanDerWaalsContact C-N 3.26Å; P255-A257 PolarHBondContact O-N 3.5Å; A257-I259 PolarHBondContact O-N 2.99Å; A257-I259 VanDerWaalsContact O-N 3.07Å; A257-D260 HydrophobicContact CB-CB 3.85Å; A257-D260 WeakPolarHBondContact O-CB 3.38Å; A257-D260 PolarHBondContact O-N 3.16Å; A257-Y282 HydrophobicContact CB-CD2 4.46Å; A257-Y282 HydrophobicContact CB-CE2 3.98Å |
| 258 | Q | 74.6 | Confident | 86.1 | Confident | 137 Ų | 137 | 50.3 Ų | 50.3 | 64% | 0.64 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -27.7 | -176.5 | -86.3 | -175.3 | 10.2 | 0 | 0 | 114.4 | R222 P255 D260 | R222-Q258 PolarHBondContact NH1-O 3.33Å; R222-Q258 PolarHBondContact NH2-O 2.96Å; P255-Q258 WeakPolarHBondContact O-CG 3.38Å; Q258-D260 VanDerWaalsContact C-N 3.34Å |
| 259 | I | 79.6 | Confident | 85.6 | Confident | 139 Ų | 139 | 52.6 Ų | 52.6 | 71% | 0.713 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 8.3 | -179.7 | -46.2 | 172.5 | 0 | 0 | 0 | 111.3 | A257 | A257-I259 PolarHBondContact O-N 2.99Å; A257-I259 VanDerWaalsContact O-N 3.07Å |
| 260 | D | 85.8 | Confident | 85.3 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.011 | 29% | 0.291 | C | S | . | . | trans | -78.5 | 146.3 | -175.8 | -165.5 | 22 | 0 | 0 | 0 | 113.9 | R222 F253 A257 Q258 T278 K279 S280 | R222-D260 VanDerWaalsContact NH1-N 3.19Å; R222-D260 PolarHBondContact NH1-O 2.98Å; F253-D260 HydrophobicContact CD1-CB 3.82Å; F253-D260 HydrophobicContact CE1-CB 4.09Å; F253-D260 WeakPolarHBondContact CE1-O 3.36Å; A257-D260 HydrophobicContact CB-CB 3.85Å; A257-D260 WeakPolarHBondContact O-CB 3.38Å; A257-D260 PolarHBondContact O-N 3.16Å; Q258-D260 VanDerWaalsContact C-N 3.34Å; D260-T278 WeakPolarHBondContact OD2-CB 3.44Å; D260-T278 PolarHBondContact OD2-OG1 3.42Å; D260-K279 WeakPolarHBondContact OD1-CA 3.48Å; D260-K279 VanDerWaalsContact OD1-CB 3.3Å; D260-K279 WeakPolarHBondContact OD1-CB 3.44Å; D260-K279 PolarHBondContact OD1-N 3.19Å; D260-S280 PolarHBondContact OD1-N 3.48Å; D260-S280 PolarHBondContact OD1-OG 3.48Å; D260-S280 VanDerWaalsContact OD1-OG 3.08Å; D260-S280 VanDerWaalsContact OD2-CB 3.23Å; D260-S280 WeakPolarHBondContact OD2-CB 3.46Å; D260-S280 PolarHBondContact OD2-N 3.41Å; D260-S280 PolarHBondContact OD2-OG 3.27Å | ||
| 261 | F | 86.7 | Confident | 85.2 | Confident | 25 Ų | 25 | 51.6 Ų | 51.6 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | trans | -141 | 158.2 | -176.4 | 64.1 | -92 | 0 | 0 | 0 | 111.8 | V178 H198 V263 T278 K279 | V178-F261 HydrophobicContact CB-CD1 4.33Å; V178-F261 HydrophobicContact CB-CE1 3.84Å; V178-F261 HydrophobicContact CB-CE2 4.44Å; V178-F261 HydrophobicContact CB-CZ 3.92Å; V178-F261 HydrophobicContact CG1-CE1 4.38Å; V178-F261 HydrophobicContact CG1-CE2 4.17Å; V178-F261 HydrophobicContact CG1-CZ 3.94Å; V178-F261 HydrophobicContact CG2-CE1 3.76Å; V178-F261 HydrophobicContact CG2-CZ 3.94Å; H198-F261 AromaticContact CD2-CD2 3.91Å; F261-V263 HydrophobicContact CD2-CG2 4.29Å; F261-V263 HydrophobicContact CE2-CG2 3.88Å; F261-V263 HydrophobicContact CZ-CG2 4.48Å; F261-V263 PolarHBondContact O-N 2.97Å; F261-T278 CarbonylContact O-C 3.45Å; F261-T278 VanDerWaalsContact O-CA 3.26Å; F261-T278 WeakPolarHBondContact O-CA 3.23Å; F261-K279 HydrophobicContact CD1-CB 4.33Å; F261-K279 HydrophobicContact CD1-CD 4.1Å; F261-K279 HydrophobicContact CE1-CB 4.11Å; F261-K279 HydrophobicContact CE1-CD 3.3Å; F261-K279 HydrophobicContact CE1-CG 4.31Å; F261-K279 HydrophobicContact CZ-CB 4.22Å; F261-K279 HydrophobicContact CZ-CD 3.7Å; F261-K279 HydrophobicContact CZ-CG 4.47Å; F261-K279 PolarHBondContact O-N 2.77Å | ||
| 262 | P | 89.1 | Confident | 85.2 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 127.6 | 177.4 | -20.4 | 33.4 | 0 | 0 | 0 | 111.6 | H198 A199 A220 L276 | H198-P262 HydrophobicContact CB-CB 4.4Å; H198-P262 WeakPolarHBondContact CB-O 3.41Å; A199-P262 HydrophobicContact CB-CB 3.94Å; A220-P262 HydrophobicContact CB-CB 3.95Å; A220-P262 HydrophobicContact CB-CG 3.67Å; P262-L276 HydrophobicContact CB-CD1 3.78Å; P262-L276 HydrophobicContact CB-CD2 4.47Å; P262-L276 HydrophobicContact CB-CG 4.29Å; P262-L276 HydrophobicContact CG-CD2 4.4Å |
| 263 | V | 87.2 | Confident | 85.6 | Confident | 37 Ų | 37 | 44.7 Ų | 44.7 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -38.6 | 178.6 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | F261 I277 K279 | F261-V263 HydrophobicContact CD2-CG2 4.29Å; F261-V263 HydrophobicContact CE2-CG2 3.88Å; F261-V263 HydrophobicContact CZ-CG2 4.48Å; F261-V263 PolarHBondContact O-N 2.97Å; V263-I277 PolarHBondContact N-O 3.21Å; V263-K279 HydrophobicContact CG2-CB 3.64Å |
| 264 | A | 88.9 | Confident | 86.1 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 146.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I277 T307 | A264-I277 HydrophobicContact CB-CB 4.43Å; A264-I277 PolarHBondContact N-O 3.42Å; A264-I277 PolarHBondContact O-N 3.32Å; A264-T307 HydrophobicContact CB-CG2 3.61Å; A264-T307 VanDerWaalsContact CB-OG1 3.28Å; A264-T307 WeakPolarHBondContact CB-OG1 3.45Å |
| 265 | M | 92.7 | Very high | 86.7 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 132.7 | 174.8 | -173 | -178.4 | -70.2 | 0 | 0 | 109 | R158 A199 A201 C218 A220 L229 I274 Y275 L276 | R158-M265 VanDerWaalsContact CZ-O 3.26Å; R158-M265 PolarHBondContact NH1-O 2.99Å; R158-M265 PolarHBondContact NH2-O 2.82Å; A199-M265 HydrophobicContact CB-CB 4.08Å; A201-M265 HydrophobicContact CB-CB 4.39Å; A201-M265 HydrophobicContact CB-CG 4Å; A201-M265 HydrophobicContact CB-SD 4.17Å; C218-M265 HydrophobicContact CB-SD 3.77Å; C218-M265 VanDerWaalsContact O-SD 3.38Å; A220-M265 HydrophobicContact CB-CE 3.8Å; L229-M265 HydrophobicContact CD1-CE 3.38Å; L229-M265 HydrophobicContact CD1-SD 4.35Å; M265-I274 HydrophobicContact CE-CG2 4.33Å; M265-I274 HydrophobicContact CG-CG2 3.53Å; M265-I274 HydrophobicContact SD-CG2 3.83Å; M265-Y275 CarbonylContact C-O 3.54Å; M265-Y275 VanDerWaalsContact CA-O 3.29Å; M265-Y275 WeakPolarHBondContact CA-O 3.17Å; M265-L276 HydrophobicContact CB-CD1 4.06Å; M265-L276 HydrophobicContact CE-CD1 3.56Å; M265-L276 HydrophobicContact CG-CD1 4.3Å |
| 266 | Q | 92.4 | Very high | 87.4 | Confident | 15 Ų | 15 | 37.8 Ų | 37.8 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 155.2 | 169.8 | -59.7 | -63.4 | -1.4 | 0 | 0 | 109.3 | Y275 I316 | Q266-Y275 PolarHBondContact N-O 3.08Å; Q266-Y275 PolarHBondContact O-N 3.34Å; Q266-I316 HydrophobicContact CB-CD1 3.97Å; Q266-I316 HydrophobicContact CB-CG1 4.32Å; Q266-I316 HydrophobicContact CG-CD1 3.53Å; Q266-I316 HydrophobicContact CG-CG1 3.84Å |
| 267 | T | 92 | Very high | 87.9 | Confident | 33 Ų | 33 | 30.6 Ų | 30.6 | 20% | 0.202 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 135 | -179.3 | 57.7 | 0 | 0 | 0 | 0 | 110.8 | A201 F202 A203 I273 I274 | A201-T267 HydrophobicContact CB-CG2 3.9Å; F202-T267 PolarHBondContact O-OG1 3.33Å; A203-T267 HydrophobicContact CB-CG2 4.06Å; T267-I273 CarbonylContact C-O 3.6Å; T267-I273 VanDerWaalsContact CA-O 3.32Å; T267-I273 WeakPolarHBondContact CA-O 3.47Å; T267-I274 HydrophobicContact CG2-CB 4.5Å; T267-I274 HydrophobicContact CG2-CG1 4.06Å; T267-I274 HydrophobicContact CG2-CG2 4.4Å |
| 268 | S | 89.6 | Confident | 88.4 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.028 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 116.8 | 174 | -172.1 | 0 | 0 | 0 | 0 | 110.3 | K270 Y271 G272 I273 S314 | S268-K270 VanDerWaalsContact C-N 3.27Å; S268-Y271 VanDerWaalsContact OG-CD2 3.24Å; S268-Y271 WeakPolarHBondContact OG-CD2 3.35Å; S268-Y271 PolarHBondContact OG-N 3.34Å; S268-G272 WeakPolarHBondContact O-CA 3.48Å; S268-G272 PolarHBondContact O-N 3.3Å; S268-I273 PolarHBondContact N-O 3Å; S268-S314 VanDerWaalsContact CB-O 3.31Å; S268-S314 WeakPolarHBondContact CB-O 3.29Å; S268-S314 VanDerWaalsContact OG-CB 3.27Å; S268-S314 WeakPolarHBondContact OG-CB 3.5Å; S268-S314 PolarHBondContact OG-O 3.16Å |
| 269 | S | 81.2 | Confident | 89 | Confident | 106 Ų | 106 | 28 Ų | 28 | 74% | 0.741 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -28.7 | 171.6 | 49.3 | 0 | 0 | 0 | 0 | 112.3 | ||
| 270 | K | 84.6 | Confident | 89.3 | Confident | 109 Ų | 109 | 23.1 Ų | 23.1 | 47% | 0.474 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -46.3 | -179.6 | -174.7 | 179.3 | 173 | -162.5 | 0 | 112.7 | S268 S314 E332 | S268-K270 VanDerWaalsContact C-N 3.27Å; K270-S314 WeakPolarHBondContact CB-OG 3.35Å; K270-E332 WeakPolarHBondContact CE-OE1 3.21Å; K270-E332 IonicContact NZ-OE1 3.19Å; K270-E332 PolarHBondContact NZ-OE1 3.17Å |
| 271 | Y | 87.1 | Confident | 89.5 | Confident | 9 Ų | 9 | 23 Ų | 23 | 4% | 0.035 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -10.1 | -172.3 | -51.6 | -66.8 | 0 | 0 | 0 | 114.5 | S268 T313 I330 E332 R355 C356 L358 | S268-Y271 VanDerWaalsContact OG-CD2 3.24Å; S268-Y271 WeakPolarHBondContact OG-CD2 3.35Å; S268-Y271 PolarHBondContact OG-N 3.34Å; Y271-T313 WeakPolarHBondContact CE2-O 3.29Å; Y271-I330 HydrophobicContact CD2-CB 4.32Å; Y271-I330 HydrophobicContact CD2-CD1 3.4Å; Y271-I330 VanDerWaalsContact CD2-CD1 3.4Å; Y271-I330 HydrophobicContact CD2-CG1 4.46Å; Y271-I330 HydrophobicContact CE2-CB 4.23Å; Y271-I330 HydrophobicContact CE2-CD1 4.13Å; Y271-I330 HydrophobicContact CG-CD1 3.65Å; Y271-E332 HydrophobicContact CE1-CG 4.16Å; Y271-E332 PolarHBondContact OH-OE1 3.44Å; Y271-R355 PolarHBondContact O-NH2 2.87Å; Y271-C356 HydrophobicContact CD1-CB 4.43Å; Y271-L358 HydrophobicContact CE1-CD2 4.47Å |
| 272 | G | 87.4 | Confident | 89.7 | Confident | 5 Ų | 5 | 22.7 Ų | 22.7 | 5% | 0.052 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 40.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S268 I288 | S268-G272 WeakPolarHBondContact O-CA 3.48Å; S268-G272 PolarHBondContact O-N 3.3Å; G272-I288 VanDerWaalsContact O-CB 3.26Å; G272-I288 WeakPolarHBondContact O-CB 3.41Å; G272-I288 WeakPolarHBondContact O-CG1 3.36Å; G272-I288 PolarHBondContact O-N 3.46Å |
| 273 | I | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 142.7 | -176 | -76.1 | 169.8 | 0 | 0 | 0 | 111.2 | T267 S268 L285 Y286 I294 I330 I335 M352 | T267-I273 CarbonylContact C-O 3.6Å; T267-I273 VanDerWaalsContact CA-O 3.32Å; T267-I273 WeakPolarHBondContact CA-O 3.47Å; S268-I273 PolarHBondContact N-O 3Å; I273-L285 HydrophobicContact CG2-CB 4.14Å; I273-L285 HydrophobicContact CG2-CD2 4.49Å; I273-L285 HydrophobicContact CG2-CG 4.17Å; I273-Y286 CarbonylContact C-O 3.6Å; I273-Y286 VanDerWaalsContact CA-O 3.27Å; I273-Y286 WeakPolarHBondContact CA-O 3.18Å; I273-I294 HydrophobicContact CD1-CD1 3.55Å; I273-I294 HydrophobicContact CG1-CD1 3.99Å; I273-I330 HydrophobicContact CB-CD1 4.14Å; I273-I330 HydrophobicContact CD1-CD1 3.3Å; I273-I330 HydrophobicContact CD1-CG1 4.2Å; I273-I330 HydrophobicContact CG1-CD1 4.24Å; I273-I330 HydrophobicContact CG2-CD1 4.29Å; I273-I335 HydrophobicContact CD1-CD1 4.35Å; I273-M352 HydrophobicContact CD1-CE 3.32Å; I273-M352 HydrophobicContact CD1-SD 4.27Å; I273-M352 HydrophobicContact CG1-CE 4.49Å |
| 274 | I | 94.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120.6 | 173.6 | -51.6 | 176.4 | 0 | 0 | 0 | 108.5 | C218 L229 I231 M265 T267 L285 Y286 I288 | C218-I274 HydrophobicContact CB-CD1 3.95Å; L229-I274 HydrophobicContact CD1-CD1 4.41Å; L229-I274 HydrophobicContact CD2-CD1 4.08Å; I231-I274 HydrophobicContact CD1-CD1 3.67Å; I231-I274 HydrophobicContact CG1-CD1 3.97Å; M265-I274 HydrophobicContact CE-CG2 4.33Å; M265-I274 HydrophobicContact CG-CG2 3.53Å; M265-I274 HydrophobicContact SD-CG2 3.83Å; T267-I274 HydrophobicContact CG2-CB 4.5Å; T267-I274 HydrophobicContact CG2-CG1 4.06Å; T267-I274 HydrophobicContact CG2-CG2 4.4Å; I274-L285 WeakPolarHBondContact O-CA 3.49Å; I274-Y286 PolarHBondContact N-O 3.49Å; I274-Y286 PolarHBondContact O-N 3.15Å; I274-I288 HydrophobicContact CD1-CG1 3.99Å; I274-I288 HydrophobicContact CG1-CD1 4.2Å; I274-I288 HydrophobicContact CG1-CG1 3.51Å |
| 275 | Y | 94.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 114.8 | 166.8 | -61 | -81.3 | 0 | 0 | 0 | 108.9 | M265 Q266 L283 L285 I316 I330 | M265-Y275 CarbonylContact C-O 3.54Å; M265-Y275 VanDerWaalsContact CA-O 3.29Å; M265-Y275 WeakPolarHBondContact CA-O 3.17Å; Q266-Y275 PolarHBondContact N-O 3.08Å; Q266-Y275 PolarHBondContact O-N 3.34Å; Y275-L283 HydrophobicContact CD1-CD1 4.25Å; Y275-L285 HydrophobicContact CD1-CD1 3.95Å; Y275-L285 HydrophobicContact CD1-CD2 4.49Å; Y275-L285 HydrophobicContact CD1-CG 3.88Å; Y275-L285 HydrophobicContact CE1-CD1 4.2Å; Y275-L285 HydrophobicContact CE1-CD2 3.97Å; Y275-L285 HydrophobicContact CE1-CG 3.86Å; Y275-I316 HydrophobicContact CD1-CG2 3.97Å; Y275-I316 HydrophobicContact CD2-CB 4.43Å; Y275-I316 HydrophobicContact CG-CB 4.19Å; Y275-I316 HydrophobicContact CG-CG2 3.93Å; Y275-I330 VanDerWaalsContact OH-CD1 3.28Å; Y275-I330 WeakPolarHBondContact OH-CD1 3.5Å; Y275-I330 WeakPolarHBondContact OH-CG1 3.04Å |
| 276 | L | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 119.8 | 177 | -173.3 | 66.9 | 0 | 0 | 0 | 109.4 | A199 A220 V251 P262 M265 L283 H284 Y286 | A199-L276 HydrophobicContact CB-CD1 4.35Å; A220-L276 HydrophobicContact CB-CD1 4.09Å; A220-L276 HydrophobicContact CB-CD2 4.24Å; V251-L276 HydrophobicContact CG1-CD2 4.16Å; V251-L276 HydrophobicContact CG2-CD2 4.21Å; P262-L276 HydrophobicContact CB-CD1 3.78Å; P262-L276 HydrophobicContact CB-CD2 4.47Å; P262-L276 HydrophobicContact CB-CG 4.29Å; P262-L276 HydrophobicContact CG-CD2 4.4Å; M265-L276 HydrophobicContact CB-CD1 4.06Å; M265-L276 HydrophobicContact CE-CD1 3.56Å; M265-L276 HydrophobicContact CG-CD1 4.3Å; L276-L283 CarbonylContact O-C 2.9Å; L276-L283 WeakPolarHBondContact O-CA 3.41Å; L276-H284 HydrophobicContact CB-CB 4.2Å; L276-H284 PolarHBondContact N-O 2.96Å; L276-H284 PolarHBondContact O-N 3.39Å; L276-Y286 HydrophobicContact CD2-CE2 4.25Å |
| 277 | I | 92.7 | Very high | 90.3 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.015 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 135.1 | 177.3 | -65.6 | 179.5 | 0 | 0 | 0 | 109.7 | V263 A264 Y282 L283 I299 I304 T307 I316 | V263-I277 PolarHBondContact N-O 3.21Å; A264-I277 HydrophobicContact CB-CB 4.43Å; A264-I277 PolarHBondContact N-O 3.42Å; A264-I277 PolarHBondContact O-N 3.32Å; I277-Y282 CarbonylContact C-O 3.51Å; I277-Y282 VanDerWaalsContact CA-O 3.29Å; I277-Y282 WeakPolarHBondContact CA-O 3.29Å; I277-L283 HydrophobicContact CD1-CD1 4.22Å; I277-L283 HydrophobicContact CG1-CD1 3.58Å; I277-I299 HydrophobicContact CD1-CD1 4.33Å; I277-I304 HydrophobicContact CD1-CD1 4.15Å; I277-I304 HydrophobicContact CD1-CG2 4.42Å; I277-I304 HydrophobicContact CG2-CB 4.04Å; I277-I304 HydrophobicContact CG2-CD1 4.16Å; I277-I304 HydrophobicContact CG2-CG2 4.48Å; I277-T307 HydrophobicContact CD1-CG2 4.11Å; I277-I316 HydrophobicContact CD1-CD1 3.55Å; I277-I316 HydrophobicContact CD1-CG1 4.21Å; I277-I316 HydrophobicContact CD1-CG2 4.46Å; I277-I316 HydrophobicContact CG1-CD1 4.1Å |
| 278 | T | 90.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 166.4 | 178.2 | 78.2 | 0 | 0 | 0 | 0 | 112.4 | F253 D260 F261 S280 G281 Y282 H284 | F253-T278 HydrophobicContact CD1-CG2 4.45Å; F253-T278 HydrophobicContact CE1-CG2 3.72Å; D260-T278 WeakPolarHBondContact OD2-CB 3.44Å; D260-T278 PolarHBondContact OD2-OG1 3.42Å; F261-T278 CarbonylContact O-C 3.45Å; F261-T278 VanDerWaalsContact O-CA 3.26Å; F261-T278 WeakPolarHBondContact O-CA 3.23Å; T278-S280 VanDerWaalsContact C-N 3.28Å; T278-S280 PolarHBondContact O-N 3.14Å; T278-G281 PolarHBondContact O-N 2.81Å; T278-G281 VanDerWaalsContact O-N 3.09Å; T278-Y282 PolarHBondContact N-O 3.38Å; T278-Y282 WeakPolarHBondContact OG1-CB 3.4Å; T278-Y282 PolarHBondContact OG1-N 3.36Å; T278-Y282 VanDerWaalsContact OG1-N 3.09Å; T278-H284 WeakPolarHBondContact CG2-NE2 3.23Å |
| 279 | K | 87.3 | Confident | 90 | Very high | 89 Ų | 89 | 19.9 Ų | 19.9 | 39% | 0.387 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -34.8 | 178.2 | 174.5 | -179.2 | 169.8 | -172 | 0 | 112.9 | D260 F261 V263 G281 T303 | D260-K279 WeakPolarHBondContact OD1-CA 3.48Å; D260-K279 VanDerWaalsContact OD1-CB 3.3Å; D260-K279 WeakPolarHBondContact OD1-CB 3.44Å; D260-K279 PolarHBondContact OD1-N 3.19Å; F261-K279 HydrophobicContact CD1-CB 4.33Å; F261-K279 HydrophobicContact CD1-CD 4.1Å; F261-K279 HydrophobicContact CE1-CB 4.11Å; F261-K279 HydrophobicContact CE1-CD 3.3Å; F261-K279 HydrophobicContact CE1-CG 4.31Å; F261-K279 HydrophobicContact CZ-CB 4.22Å; F261-K279 HydrophobicContact CZ-CD 3.7Å; F261-K279 HydrophobicContact CZ-CG 4.47Å; F261-K279 PolarHBondContact O-N 2.77Å; V263-K279 HydrophobicContact CG2-CB 3.64Å; K279-G281 PolarHBondContact O-N 2.96Å; K279-T303 HydrophobicContact CG-CG2 4.09Å; K279-T303 WeakPolarHBondContact O-CA 3.41Å; K279-T303 VanDerWaalsContact O-CB 3.32Å; K279-T303 WeakPolarHBondContact O-CB 3.31Å; K279-T303 WeakPolarHBondContact O-CG2 3.48Å; K279-T303 PolarHBondContact O-OG1 3.35Å |
| 280 | S | 86.8 | Confident | 90.2 | Very high | 36 Ų | 36 | 16.6 Ų | 16.6 | 25% | 0.252 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 3.3 | 179.4 | -51.4 | 0 | 0 | 0 | 0 | 113.1 | D260 T278 R298 | D260-S280 PolarHBondContact OD1-N 3.48Å; D260-S280 PolarHBondContact OD1-OG 3.48Å; D260-S280 VanDerWaalsContact OD1-OG 3.08Å; D260-S280 VanDerWaalsContact OD2-CB 3.23Å; D260-S280 WeakPolarHBondContact OD2-CB 3.46Å; D260-S280 PolarHBondContact OD2-N 3.41Å; D260-S280 PolarHBondContact OD2-OG 3.27Å; T278-S280 VanDerWaalsContact C-N 3.28Å; T278-S280 PolarHBondContact O-N 3.14Å; S280-R298 PolarHBondContact O-NE 2.84Å |
| 281 | G | 88.6 | Confident | 90.3 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | S | Bend | trans | 85.5 | 20.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | T278 K279 I299 S300 | T278-G281 PolarHBondContact O-N 2.81Å; T278-G281 VanDerWaalsContact O-N 3.09Å; K279-G281 PolarHBondContact O-N 2.96Å; G281-I299 WeakPolarHBondContact O-CG1 3.5Å; G281-I299 PolarHBondContact O-N 3.13Å; G281-S300 PolarHBondContact O-N 3.2Å |
| 282 | Y | 91.6 | Very high | 90.4 | Very high | 18 Ų | 18 | 12.9 Ų | 12.9 | 7% | 0.071 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 137.5 | 170.3 | -74 | -89.8 | 0 | 0 | 0 | 110.6 | P254 E256 A257 I277 T278 R298 | P254-Y282 HydrophobicContact CG-CD1 4.4Å; P254-Y282 HydrophobicContact CG-CE1 3.75Å; P254-Y282 HydrophobicContact CG-CE2 4.33Å; E256-Y282 PolarHBondContact OE1-OH 3.3Å; A257-Y282 HydrophobicContact CB-CD2 4.46Å; A257-Y282 HydrophobicContact CB-CE2 3.98Å; I277-Y282 CarbonylContact C-O 3.51Å; I277-Y282 VanDerWaalsContact CA-O 3.29Å; I277-Y282 WeakPolarHBondContact CA-O 3.29Å; T278-Y282 PolarHBondContact N-O 3.38Å; T278-Y282 WeakPolarHBondContact OG1-CB 3.4Å; T278-Y282 PolarHBondContact OG1-N 3.36Å; T278-Y282 VanDerWaalsContact OG1-N 3.09Å; Y282-R298 HydrophobicContact CD1-CB 3.94Å; Y282-R298 HydrophobicContact CD2-CG 4.44Å; Y282-R298 HydrophobicContact CE1-CB 3.68Å; Y282-R298 HydrophobicContact CE1-CG 4.46Å; Y282-R298 HydrophobicContact CE2-CB 4.36Å; Y282-R298 HydrophobicContact CE2-CG 4.28Å; Y282-R298 HydrophobicContact CG-CB 4.37Å |
| 283 | L | 91.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 128.9 | 170.9 | 176.8 | 71.4 | 0 | 0 | 0 | 108.6 | I8 Y275 L276 I277 L285 M296 N297 I299 I316 V328 | I8-L283 HydrophobicContact CD1-CD2 4.49Å; Y275-L283 HydrophobicContact CD1-CD1 4.25Å; L276-L283 CarbonylContact O-C 2.9Å; L276-L283 WeakPolarHBondContact O-CA 3.41Å; I277-L283 HydrophobicContact CD1-CD1 4.22Å; I277-L283 HydrophobicContact CG1-CD1 3.58Å; L283-L285 HydrophobicContact CD1-CD1 4.25Å; L283-L285 HydrophobicContact CD2-CD1 3.58Å; L283-L285 HydrophobicContact CG-CD1 3.61Å; L283-M296 VanDerWaalsContact O-CA 3.3Å; L283-M296 WeakPolarHBondContact O-CA 3.1Å; L283-N297 PolarHBondContact N-O 2.81Å; L283-N297 PolarHBondContact O-N 3.47Å; L283-N297 VanDerWaalsContact O-N 3.15Å; L283-I299 HydrophobicContact CB-CD1 3.95Å; L283-I299 HydrophobicContact CB-CG1 4.09Å; L283-I299 HydrophobicContact CB-CG2 3.94Å; L283-I299 HydrophobicContact CD2-CD1 4.39Å; L283-I299 HydrophobicContact CD2-CG2 4.23Å; L283-I316 HydrophobicContact CD1-CG2 4.35Å; L283-V328 HydrophobicContact CD2-CB 3.78Å; L283-V328 HydrophobicContact CD2-CG1 3.45Å; L283-V328 VanDerWaalsContact CD2-CG1 3.45Å; L283-V328 HydrophobicContact CD2-CG2 3.75Å |
| 284 | H | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132.5 | 171.6 | -51.7 | -112.9 | 0 | 0 | 0 | 109.4 | Y252 L276 T278 Y286 Y295 M296 | Y252-H284 PolarHBondContact O-CE1 2.95Å; L276-H284 HydrophobicContact CB-CB 4.2Å; L276-H284 PolarHBondContact N-O 2.96Å; L276-H284 PolarHBondContact O-N 3.39Å; T278-H284 WeakPolarHBondContact CG2-NE2 3.23Å; H284-Y286 HydrophobicContact CB-CD2 4.05Å; H284-Y286 HydrophobicContact CB-CE2 3.4Å; H284-Y286 VanDerWaalsContact CB-CE2 3.4Å; H284-Y295 CarbonylContact C-O 3.6Å; H284-Y295 WeakPolarHBondContact CA-O 3.47Å; H284-M296 WeakPolarHBondContact CE1-CE 3.27Å; H284-M296 PolarHBondContact CE1-SD 2.86Å; H284-M296 WeakPolarHBondContact ND1-CE 3.2Å |
| 285 | L | 93.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123.9 | 171.2 | -79.7 | 65.6 | 0 | 0 | 0 | 108.3 | I8 I273 I274 Y275 L283 C293 I294 Y295 I330 | I8-L285 HydrophobicContact CG2-CD1 4.4Å; I8-L285 HydrophobicContact CG2-CD2 3.55Å; I273-L285 HydrophobicContact CG2-CB 4.14Å; I273-L285 HydrophobicContact CG2-CD2 4.49Å; I273-L285 HydrophobicContact CG2-CG 4.17Å; I274-L285 WeakPolarHBondContact O-CA 3.49Å; Y275-L285 HydrophobicContact CD1-CD1 3.95Å; Y275-L285 HydrophobicContact CD1-CD2 4.49Å; Y275-L285 HydrophobicContact CD1-CG 3.88Å; Y275-L285 HydrophobicContact CE1-CD1 4.2Å; Y275-L285 HydrophobicContact CE1-CD2 3.97Å; Y275-L285 HydrophobicContact CE1-CG 3.86Å; L283-L285 HydrophobicContact CD1-CD1 4.25Å; L283-L285 HydrophobicContact CD2-CD1 3.58Å; L283-L285 HydrophobicContact CG-CD1 3.61Å; L285-C293 CarbonylContact O-C 3.58Å; L285-C293 WeakPolarHBondContact O-CA 3.5Å; L285-I294 HydrophobicContact CB-CB 4.25Å; L285-I294 PolarHBondContact O-N 2.88Å; L285-Y295 HydrophobicContact CD1-CD1 4.34Å; L285-Y295 PolarHBondContact N-O 3.4Å; L285-I330 HydrophobicContact CD2-CG1 4.16Å |
| 286 | Y | 93.3 | Very high | 90 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 1% | 0.012 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.3 | 173.3 | -66.2 | -90.4 | 0 | 0 | 0 | 110.8 | L229 I249 I273 I274 L276 H284 G291 S292 C293 | L229-Y286 HydrophobicContact CD2-CD1 4.04Å; L229-Y286 HydrophobicContact CD2-CD2 3.64Å; L229-Y286 HydrophobicContact CD2-CE1 4.48Å; L229-Y286 HydrophobicContact CD2-CE2 4.11Å; L229-Y286 HydrophobicContact CD2-CG 3.6Å; I249-Y286 HydrophobicContact CG2-CE1 4.16Å; I273-Y286 CarbonylContact C-O 3.6Å; I273-Y286 VanDerWaalsContact CA-O 3.27Å; I273-Y286 WeakPolarHBondContact CA-O 3.18Å; I274-Y286 PolarHBondContact N-O 3.49Å; I274-Y286 PolarHBondContact O-N 3.15Å; L276-Y286 HydrophobicContact CD2-CE2 4.25Å; H284-Y286 HydrophobicContact CB-CD2 4.05Å; H284-Y286 HydrophobicContact CB-CE2 3.4Å; H284-Y286 VanDerWaalsContact CB-CE2 3.4Å; Y286-G291 WeakPolarHBondContact CD1-O 3.23Å; Y286-S292 WeakPolarHBondContact CA-O 3.33Å; Y286-C293 HydrophobicContact CD1-CB 3.87Å; Y286-C293 HydrophobicContact CE1-CB 3.51Å |
| 287 | D | 91.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 130.8 | 165.9 | 171.4 | 53.8 | 0 | 0 | 0 | 110.1 | E289 S290 G291 S292 I294 L348 R355 | D287-E289 VanDerWaalsContact C-N 3.33Å; D287-E289 PolarHBondContact O-N 2.89Å; D287-S290 VanDerWaalsContact OD2-CB 3.25Å; D287-S290 WeakPolarHBondContact OD2-CB 3.28Å; D287-S290 PolarHBondContact OD2-N 2.94Å; D287-S290 PolarHBondContact OD2-OG 3.35Å; D287-G291 WeakPolarHBondContact O-CA 3.28Å; D287-G291 PolarHBondContact O-N 3.42Å; D287-S292 PolarHBondContact N-O 3.16Å; D287-I294 HydrophobicContact CB-CD1 4.13Å; D287-L348 HydrophobicContact CB-CD1 4.26Å; D287-R355 IonicContact OD1-CZ 2.74Å; D287-R355 IonicContact OD1-NH1 2.83Å; D287-R355 PolarHBondContact OD1-NH1 3.24Å; D287-R355 IonicContact OD1-NH2 2.72Å; D287-R355 PolarHBondContact OD1-NH2 3.34Å |
| 288 | I | 90.4 | Very high | 89.7 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -38 | -176.3 | -74.7 | 175.8 | 0 | 0 | 0 | 111.8 | A203 Y205 L216 I231 G272 I274 | A203-I288 HydrophobicContact CB-CD1 3.93Å; Y205-I288 HydrophobicContact CD1-CG2 4.37Å; Y205-I288 HydrophobicContact CD2-CG2 4.14Å; Y205-I288 HydrophobicContact CG-CG2 4.05Å; L216-I288 HydrophobicContact CD1-CG2 3.47Å; L216-I288 VanDerWaalsContact CD1-CG2 3.47Å; I231-I288 WeakPolarHBondContact CD1-O 3.45Å; I231-I288 HydrophobicContact CG2-CG2 4.39Å; G272-I288 VanDerWaalsContact O-CB 3.26Å; G272-I288 WeakPolarHBondContact O-CB 3.41Å; G272-I288 WeakPolarHBondContact O-CG1 3.36Å; G272-I288 PolarHBondContact O-N 3.46Å; I274-I288 HydrophobicContact CD1-CG1 3.99Å; I274-I288 HydrophobicContact CG1-CD1 4.2Å; I274-I288 HydrophobicContact CG1-CG1 3.51Å |
| 289 | E | 86.5 | Confident | 89.6 | Confident | 35 Ų | 35 | 27.8 Ų | 27.8 | 16% | 0.164 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -53.7 | -171.8 | 177.1 | 164 | -141.5 | 0 | 0 | 112.7 | Y205 K247 D287 R355 | Y205-E289 HydrophobicContact CE1-CB 4.12Å; Y205-E289 WeakPolarHBondContact OH-CB 3.19Å; Y205-E289 VanDerWaalsContact OH-CD 3.31Å; Y205-E289 PolarHBondContact OH-OE2 3.06Å; K247-E289 WeakPolarHBondContact CE-O 3.34Å; D287-E289 VanDerWaalsContact C-N 3.33Å; D287-E289 PolarHBondContact O-N 2.89Å; E289-R355 IonicContact OE2-NH1 3.15Å; E289-R355 PolarHBondContact OE2-NH1 2.83Å |
| 290 | S | 85 | Confident | 89.7 | Confident | 36 Ų | 36 | 23.9 Ų | 23.9 | 25% | 0.252 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -29.9 | 179.4 | 65.8 | 0 | 0 | 0 | 0 | 112.3 | D287 S292 | D287-S290 VanDerWaalsContact OD2-CB 3.25Å; D287-S290 WeakPolarHBondContact OD2-CB 3.28Å; D287-S290 PolarHBondContact OD2-N 2.94Å; D287-S290 PolarHBondContact OD2-OG 3.35Å; S290-S292 VanDerWaalsContact C-N 3.25Å; S290-S292 WeakPolarHBondContact CB-OG 3.3Å; S290-S292 WeakPolarHBondContact OG-CB 3.32Å; S290-S292 PolarHBondContact OG-N 3.45Å; S290-S292 VanDerWaalsContact OG-N 3.14Å; S290-S292 PolarHBondContact OG-OG 2.88Å |
| 291 | G | 86.7 | Confident | 89.7 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | trans | 78.2 | 6.7 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I249 Y286 D287 | I249-G291 WeakPolarHBondContact CG1-O 3.31Å; I249-G291 WeakPolarHBondContact CG2-O 3.4Å; Y286-G291 WeakPolarHBondContact CD1-O 3.23Å; D287-G291 WeakPolarHBondContact O-CA 3.28Å; D287-G291 PolarHBondContact O-N 3.42Å | ||
| 292 | S | 88.7 | Confident | 89.6 | Confident | 38 Ų | 38 | 27.4 Ų | 27.4 | 27% | 0.266 | 15% | 0.149 | S | C | . | . | trans | -72.6 | 137.8 | -175.4 | -52 | 0 | 0 | 0 | 0 | 111.5 | Y286 D287 S290 I294 | Y286-S292 WeakPolarHBondContact CA-O 3.33Å; D287-S292 PolarHBondContact N-O 3.16Å; S290-S292 VanDerWaalsContact C-N 3.25Å; S290-S292 WeakPolarHBondContact CB-OG 3.3Å; S290-S292 WeakPolarHBondContact OG-CB 3.32Å; S290-S292 PolarHBondContact OG-N 3.45Å; S290-S292 VanDerWaalsContact OG-N 3.14Å; S290-S292 PolarHBondContact OG-OG 2.88Å; S292-I294 PolarHBondContact O-N 3.38Å | ||
| 293 | C | 90.5 | Very high | 89.4 | Confident | 46 Ų | 46 | 27.8 Ų | 27.8 | 31% | 0.311 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 117 | 171.1 | -168.3 | 0 | 0 | 0 | 0 | 109.5 | L285 Y286 | L285-C293 CarbonylContact O-C 3.58Å; L285-C293 WeakPolarHBondContact O-CA 3.5Å; Y286-C293 HydrophobicContact CD1-CB 3.87Å; Y286-C293 HydrophobicContact CE1-CB 3.51Å |
| 294 | I | 90.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -48.6 | 179 | -62 | 171.3 | 0 | 0 | 0 | 110.1 | I273 L285 D287 S292 I335 Y338 I339 L343 L348 M352 | I273-I294 HydrophobicContact CD1-CD1 3.55Å; I273-I294 HydrophobicContact CG1-CD1 3.99Å; L285-I294 HydrophobicContact CB-CB 4.25Å; L285-I294 PolarHBondContact O-N 2.88Å; D287-I294 HydrophobicContact CB-CD1 4.13Å; S292-I294 PolarHBondContact O-N 3.38Å; I294-I335 HydrophobicContact CG2-CD1 4.26Å; I294-I335 HydrophobicContact CG2-CG1 4.37Å; I294-Y338 VanDerWaalsContact O-CE1 3.28Å; I294-Y338 WeakPolarHBondContact O-CE1 3.48Å; I294-I339 HydrophobicContact CG2-CD1 4.2Å; I294-I339 HydrophobicContact CG2-CG1 4Å; I294-L343 HydrophobicContact CG2-CD1 4.34Å; I294-L343 WeakPolarHBondContact O-CD1 3.34Å; I294-L348 HydrophobicContact CG1-CD2 4.43Å; I294-M352 HydrophobicContact CD1-SD 4.14Å |
| 295 | Y | 90.7 | Very high | 89.1 | Confident | 15 Ų | 15 | 28.8 Ų | 28.8 | 6% | 0.059 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 143.6 | -173.7 | -176.8 | -105.3 | 0 | 0 | 0 | 110.8 | P7 I8 H284 L285 N297 Y338 | P7-Y295 HydrophobicContact CG-CD2 3.46Å; P7-Y295 VanDerWaalsContact CG-CD2 3.46Å; P7-Y295 HydrophobicContact CG-CE2 4.13Å; P7-Y295 HydrophobicContact CG-CG 3.69Å; I8-Y295 HydrophobicContact CD1-CD1 3.99Å; I8-Y295 HydrophobicContact CD1-CE1 3.4Å; I8-Y295 HydrophobicContact CG1-CD1 4.25Å; I8-Y295 HydrophobicContact CG1-CE1 3.84Å; I8-Y295 HydrophobicContact CG2-CD1 4.18Å; H284-Y295 CarbonylContact C-O 3.6Å; H284-Y295 WeakPolarHBondContact CA-O 3.47Å; L285-Y295 HydrophobicContact CD1-CD1 4.34Å; L285-Y295 PolarHBondContact N-O 3.4Å; Y295-N297 HydrophobicContact CE1-CB 3.58Å; Y295-N297 HydrophobicContact CE2-CB 4.41Å; Y295-N297 VanDerWaalsContact OH-CB 3.26Å; Y295-N297 WeakPolarHBondContact OH-CB 3.37Å; Y295-N297 PolarHBondContact OH-ND2 3.3Å; Y295-Y338 HydrophobicContact CD2-CE1 4.31Å; Y295-Y338 HydrophobicContact CD2-CE2 4.38Å; Y295-Y338 AromaticContact CD2-CZ 3.85Å |
| 296 | M | 88.3 | Confident | 88.9 | Confident | 53 Ų | 53 | 30 Ų | 30 | 26% | 0.261 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 122.4 | 175.7 | -175 | -168.8 | -53.3 | 0 | 0 | 109.9 | Y252 L283 H284 | Y252-M296 HydrophobicContact CD1-CE 3.65Å; Y252-M296 HydrophobicContact CD1-SD 3.72Å; Y252-M296 HydrophobicContact CE1-SD 4.38Å; Y252-M296 HydrophobicContact CG-CE 4.21Å; L283-M296 VanDerWaalsContact O-CA 3.3Å; L283-M296 WeakPolarHBondContact O-CA 3.1Å; H284-M296 WeakPolarHBondContact CE1-CE 3.27Å; H284-M296 PolarHBondContact CE1-SD 2.86Å; H284-M296 WeakPolarHBondContact ND1-CE 3.2Å |
| 297 | N | 89 | Confident | 88.9 | Confident | 72 Ų | 72 | 30.6 Ų | 30.6 | 39% | 0.385 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 159.6 | 171.6 | -155 | -11.1 | 0 | 0 | 0 | 111.5 | L283 Y295 I299 | L283-N297 PolarHBondContact N-O 2.81Å; L283-N297 PolarHBondContact O-N 3.47Å; L283-N297 VanDerWaalsContact O-N 3.15Å; Y295-N297 HydrophobicContact CE1-CB 3.58Å; Y295-N297 HydrophobicContact CE2-CB 4.41Å; Y295-N297 VanDerWaalsContact OH-CB 3.26Å; Y295-N297 WeakPolarHBondContact OH-CB 3.37Å; Y295-N297 PolarHBondContact OH-ND2 3.3Å; N297-I299 PolarHBondContact O-N 3.29Å |
| 298 | R | 89.8 | Confident | 88.9 | Confident | 109 Ų | 109 | 30.6 Ų | 30.6 | 41% | 0.411 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 115.8 | 173.5 | -164.9 | 176.2 | -175.8 | -178.5 | 0.2 | 109.6 | S280 Y282 S300 S301 | S280-R298 PolarHBondContact O-NE 2.84Å; Y282-R298 HydrophobicContact CD1-CB 3.94Å; Y282-R298 HydrophobicContact CD2-CG 4.44Å; Y282-R298 HydrophobicContact CE1-CB 3.68Å; Y282-R298 HydrophobicContact CE1-CG 4.46Å; Y282-R298 HydrophobicContact CE2-CB 4.36Å; Y282-R298 HydrophobicContact CE2-CG 4.28Å; Y282-R298 HydrophobicContact CG-CB 4.37Å; R298-S300 WeakPolarHBondContact CG-O 3.29Å; R298-S300 PolarHBondContact NE-O 3.44Å; R298-S300 VanDerWaalsContact NE-O 3.16Å; R298-S301 PolarHBondContact NH2-O 3.24Å |
| 299 | I | 89.3 | Confident | 88.9 | Confident | 25 Ų | 25 | 33.2 Ų | 33.2 | 13% | 0.128 | 19% | 0.186 | C | C | . | . | trans | -98.8 | -12.9 | -179.9 | 60 | 164.9 | 0 | 0 | 0 | 113 | F10 I277 G281 L283 N297 I304 V328 | F10-I299 HydrophobicContact CD2-CB 4.34Å; F10-I299 HydrophobicContact CD2-CG2 4.39Å; F10-I299 HydrophobicContact CE2-CB 3.96Å; F10-I299 HydrophobicContact CE2-CG2 4.49Å; I277-I299 HydrophobicContact CD1-CD1 4.33Å; G281-I299 WeakPolarHBondContact O-CG1 3.5Å; G281-I299 PolarHBondContact O-N 3.13Å; L283-I299 HydrophobicContact CB-CD1 3.95Å; L283-I299 HydrophobicContact CB-CG1 4.09Å; L283-I299 HydrophobicContact CB-CG2 3.94Å; L283-I299 HydrophobicContact CD2-CD1 4.39Å; L283-I299 HydrophobicContact CD2-CG2 4.23Å; N297-I299 PolarHBondContact O-N 3.29Å; I299-I304 HydrophobicContact CD1-CD1 3.59Å; I299-I304 HydrophobicContact CG1-CD1 3.96Å; I299-V328 HydrophobicContact CD1-CG2 3.81Å; I299-V328 HydrophobicContact CG2-CG2 4.38Å | ||
| 300 | S | 89.8 | Confident | 89.2 | Confident | 8 Ų | 8 | 33.5 Ų | 33.5 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | trans | -148.1 | 136.4 | 178.5 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | G281 R298 D302 N320 | G281-S300 PolarHBondContact O-N 3.2Å; R298-S300 WeakPolarHBondContact CG-O 3.29Å; R298-S300 PolarHBondContact NE-O 3.44Å; R298-S300 VanDerWaalsContact NE-O 3.16Å; S300-D302 WeakPolarHBondContact CB-O 3.39Å; S300-D302 PolarHBondContact O-N 2.79Å; S300-D302 PolarHBondContact OG-N 2.64Å; S300-D302 VanDerWaalsContact OG-N 3.15Å; S300-D302 PolarHBondContact OG-O 3.42Å; S300-N320 WeakPolarHBondContact OG-CB 3.17Å; S300-N320 PolarHBondContact OG-ND2 3.35Å | ||
| 301 | S | 85.4 | Confident | 89.3 | Confident | 67 Ų | 67 | 37.3 Ų | 37.3 | 47% | 0.469 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -68.2 | -25.1 | 169.7 | 54 | 0 | 0 | 0 | 0 | 112.1 | R298 K322 | R298-S301 PolarHBondContact NH2-O 3.24Å; S301-K322 PolarHBondContact OG-NZ 3.47Å |
| 302 | D | 88.1 | Confident | 89.2 | Confident | 42 Ų | 42 | 41.8 Ų | 41.8 | 23% | 0.225 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -111 | 150.8 | -173.5 | -64.9 | -93.3 | 0 | 0 | 0 | 110.9 | S300 I304 N320 R321 K322 | S300-D302 WeakPolarHBondContact CB-O 3.39Å; S300-D302 PolarHBondContact O-N 2.79Å; S300-D302 PolarHBondContact OG-N 2.64Å; S300-D302 VanDerWaalsContact OG-N 3.15Å; S300-D302 PolarHBondContact OG-O 3.42Å; D302-I304 PolarHBondContact O-N 3.03Å; D302-N320 HydrophobicContact CB-CB 4.26Å; D302-R321 HydrophobicContact CB-CB 4.36Å; D302-K322 HydrophobicContact CB-CG 4.44Å; D302-K322 WeakPolarHBondContact OD2-CD 3.47Å; D302-K322 WeakPolarHBondContact OD2-CE 3.46Å; D302-K322 IonicContact OD2-NZ 3.48Å; D302-K322 PolarHBondContact OD2-NZ 2.79Å |
| 303 | T | 87.6 | Confident | 89.1 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 16% | 0.16 | 23% | 0.228 | C | C | . | . | trans | -60.9 | 123.1 | -178.4 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | K279 F305 N320 R321 | K279-T303 HydrophobicContact CG-CG2 4.09Å; K279-T303 WeakPolarHBondContact O-CA 3.41Å; K279-T303 VanDerWaalsContact O-CB 3.32Å; K279-T303 WeakPolarHBondContact O-CB 3.31Å; K279-T303 WeakPolarHBondContact O-CG2 3.48Å; K279-T303 PolarHBondContact O-OG1 3.35Å; T303-F305 PolarHBondContact O-N 3.08Å; T303-N320 WeakPolarHBondContact O-CA 3.46Å; T303-R321 PolarHBondContact O-N 3.36Å; T303-R321 VanDerWaalsContact O-N 3.12Å | ||
| 304 | I | 90.5 | Very high | 89 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 110.7 | 165.5 | -61.9 | 169.9 | 0 | 0 | 0 | 106.9 | I277 I299 D302 T307 V319 N320 | I277-I304 HydrophobicContact CD1-CD1 4.15Å; I277-I304 HydrophobicContact CD1-CG2 4.42Å; I277-I304 HydrophobicContact CG2-CB 4.04Å; I277-I304 HydrophobicContact CG2-CD1 4.16Å; I277-I304 HydrophobicContact CG2-CG2 4.48Å; I299-I304 HydrophobicContact CD1-CD1 3.59Å; I299-I304 HydrophobicContact CG1-CD1 3.96Å; D302-I304 PolarHBondContact O-N 3.03Å; I304-T307 HydrophobicContact CG2-CG2 3.69Å; I304-V319 WeakPolarHBondContact CA-O 3.15Å; I304-N320 HydrophobicContact CG1-CB 4.01Å |
| 305 | F | 86.8 | Confident | 89.1 | Confident | 20 Ų | 20 | 41 Ų | 41 | 9% | 0.088 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -17.1 | -169.1 | 65.6 | -93.3 | 0 | 0 | 0 | 113.5 | I26 G27 F28 L31 T303 V319 R321 | I26-F305 HydrophobicContact CG2-CE1 3.93Å; I26-F305 HydrophobicContact CG2-CZ 4.09Å; G27-F305 VanDerWaalsContact C-CE2 3.41Å; G27-F305 WeakPolarHBondContact O-CE2 3.44Å; F28-F305 HydrophobicContact CB-CD2 4.23Å; L31-F305 HydrophobicContact CB-CE2 4.09Å; L31-F305 HydrophobicContact CB-CZ 4.11Å; L31-F305 HydrophobicContact CD1-CZ 4.27Å; L31-F305 HydrophobicContact CD2-CE2 4.02Å; L31-F305 HydrophobicContact CD2-CZ 4.08Å; L31-F305 HydrophobicContact CG-CZ 4.39Å; T303-F305 PolarHBondContact O-N 3.08Å; F305-V319 WeakPolarHBondContact CD1-O 3.2Å; F305-V319 HydrophobicContact CE1-CG1 4.34Å; F305-V319 HydrophobicContact CZ-CG1 4.38Å; F305-V319 PolarHBondContact N-O 2.9Å; F305-V319 VanDerWaalsContact N-O 3.1Å; F305-R321 HydrophobicContact CD1-CG 4.04Å |
| 306 | V | 89.8 | Confident | 89.2 | Confident | 25 Ų | 25 | 40.4 Ų | 40.4 | 15% | 0.152 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 141.7 | 174.4 | 67.8 | 0 | 0 | 0 | 0 | 109.4 | L31 M33 G318 V319 | L31-V306 HydrophobicContact CD2-CG1 3.54Å; M33-V306 HydrophobicContact CB-CG1 4.28Å; M33-V306 HydrophobicContact CB-CG2 3.87Å; M33-V306 HydrophobicContact CE-CG1 4.36Å; V306-G318 WeakPolarHBondContact O-CA 3.28Å; V306-V319 HydrophobicContact CG1-CB 3.78Å; V306-V319 HydrophobicContact CG1-CG2 4.01Å; V306-V319 PolarHBondContact O-N 3.41Å; V306-V319 VanDerWaalsContact O-N 3.08Å |
| 307 | T | 92.3 | Very high | 89.5 | Confident | 15 Ų | 15 | 38 Ų | 38 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 152.5 | 179.8 | 64.4 | 0 | 0 | 0 | 0 | 111.3 | A264 I277 I304 I316 I317 | A264-T307 HydrophobicContact CB-CG2 3.61Å; A264-T307 VanDerWaalsContact CB-OG1 3.28Å; A264-T307 WeakPolarHBondContact CB-OG1 3.45Å; I277-T307 HydrophobicContact CD1-CG2 4.11Å; I304-T307 HydrophobicContact CG2-CG2 3.69Å; T307-I316 HydrophobicContact CG2-CD1 4.17Å; T307-I316 HydrophobicContact CG2-CG1 4.48Å; T307-I317 CarbonylContact C-O 3.49Å; T307-I317 WeakPolarHBondContact CA-O 3.42Å; T307-I317 WeakPolarHBondContact CB-O 3.39Å |
| 308 | A | 91.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 159.1 | 174 | 0 | 0 | 0 | 0 | 0 | 109.6 | M33 I317 | M33-A308 HydrophobicContact CE-CB 3.85Å; M33-A308 HydrophobicContact CG-CB 4.38Å; A308-I317 HydrophobicContact CB-CG2 3.92Å; A308-I317 PolarHBondContact N-O 3.03Å; A308-I317 WeakPolarHBondContact O-CG2 3.22Å; A308-I317 PolarHBondContact O-N 3.3Å |
| 309 | P | 90.5 | Very high | 89.9 | Confident | 58 Ų | 58 | 29.4 Ų | 29.4 | 38% | 0.377 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 141.3 | 166.3 | 28.2 | -34.5 | 0 | 0 | 0 | 110 | ||
| 310 | Y | 92.5 | Very high | 90 | Very high | 40 Ų | 40 | 28.2 Ų | 28.2 | 16% | 0.157 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 98.2 | 172.6 | -171.7 | -138.6 | 0 | 0 | 0 | 108.7 | H13 D36 P312 T313 S314 G315 I317 | H13-Y310 PolarHBondContact CE1-OH 3.19Å; H13-Y310 AromaticContact NE2-CZ 3.96Å; D36-Y310 HydrophobicContact CB-CD2 3.7Å; D36-Y310 HydrophobicContact CB-CE2 4.34Å; D36-Y310 VanDerWaalsContact OD2-CD2 3.31Å; D36-Y310 WeakPolarHBondContact OD2-CD2 3.5Å; Y310-P312 HydrophobicContact CE2-CG 4.06Å; Y310-T313 HydrophobicContact CD1-CG2 4.44Å; Y310-T313 WeakPolarHBondContact CD1-OG1 3.49Å; Y310-T313 HydrophobicContact CE1-CG2 4.05Å; Y310-T313 WeakPolarHBondContact CE1-OG1 3.32Å; Y310-S314 VanDerWaalsContact O-CA 3.3Å; Y310-S314 WeakPolarHBondContact O-CA 3.49Å; Y310-S314 PolarHBondContact O-N 3.12Å; Y310-G315 PolarHBondContact N-O 2.87Å; Y310-G315 PolarHBondContact O-N 3.27Å; Y310-I317 HydrophobicContact CD2-CB 4.5Å; Y310-I317 HydrophobicContact CD2-CD1 4.38Å; Y310-I317 HydrophobicContact CG-CB 4.47Å |
| 311 | E | 86.8 | Confident | 90 | Very high | 116 Ų | 116 | 35.2 Ų | 35.2 | 54% | 0.542 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -61.9 | -44.6 | -166.8 | -63.9 | -175.3 | 162.4 | 0 | 0 | 113.5 | D36 T313 S314 | D36-E311 PolarHBondContact OD2-N 3.4Å; E311-T313 VanDerWaalsContact C-N 3.25Å; E311-T313 PolarHBondContact O-N 3.47Å; E311-T313 VanDerWaalsContact O-N 3.14Å; E311-S314 PolarHBondContact O-N 3.38Å |
| 312 | P | 85.5 | Confident | 90.1 | Very high | 98 Ų | 98 | 37 Ų | 37 | 64% | 0.636 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -59 | -33.2 | -173.8 | -26.9 | 35 | 0 | 0 | 0 | 114.5 | D36 Y310 | D36-P312 WeakPolarHBondContact OD2-CD 3.24Å; Y310-P312 HydrophobicContact CE2-CG 4.06Å |
| 313 | T | 86.5 | Confident | 90.3 | Very high | 40 Ų | 40 | 35 Ų | 35 | 25% | 0.245 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -115.4 | 3 | -177 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | Y271 Y310 E311 G315 S329 | Y271-T313 WeakPolarHBondContact CE2-O 3.29Å; Y310-T313 HydrophobicContact CD1-CG2 4.44Å; Y310-T313 WeakPolarHBondContact CD1-OG1 3.49Å; Y310-T313 HydrophobicContact CE1-CG2 4.05Å; Y310-T313 WeakPolarHBondContact CE1-OG1 3.32Å; E311-T313 VanDerWaalsContact C-N 3.25Å; E311-T313 PolarHBondContact O-N 3.47Å; E311-T313 VanDerWaalsContact O-N 3.14Å; T313-G315 PolarHBondContact O-N 3.27Å; T313-S329 VanDerWaalsContact OG1-CB 3.28Å; T313-S329 WeakPolarHBondContact OG1-CB 3.48Å |
| 314 | S | 88.2 | Confident | 90.5 | Very high | 25 Ų | 25 | 35.8 Ų | 35.8 | 18% | 0.175 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 38.7 | -171.6 | -57.5 | 0 | 0 | 0 | 0 | 113.3 | S268 K270 Y310 E311 | S268-S314 VanDerWaalsContact CB-O 3.31Å; S268-S314 WeakPolarHBondContact CB-O 3.29Å; S268-S314 VanDerWaalsContact OG-CB 3.27Å; S268-S314 WeakPolarHBondContact OG-CB 3.5Å; S268-S314 PolarHBondContact OG-O 3.16Å; K270-S314 WeakPolarHBondContact CB-OG 3.35Å; Y310-S314 VanDerWaalsContact O-CA 3.3Å; Y310-S314 WeakPolarHBondContact O-CA 3.49Å; Y310-S314 PolarHBondContact O-N 3.12Å; E311-S314 PolarHBondContact O-N 3.38Å |
| 315 | G | 91.9 | Very high | 90.7 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -157.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y310 T313 V328 | Y310-G315 PolarHBondContact N-O 2.87Å; Y310-G315 PolarHBondContact O-N 3.27Å; T313-G315 PolarHBondContact O-N 3.27Å; G315-V328 CarbonylContact C-O 3.56Å; G315-V328 VanDerWaalsContact CA-O 3.32Å; G315-V328 WeakPolarHBondContact CA-O 3.06Å |
| 316 | I | 93.6 | Very high | 91 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.5 | 174.9 | -173.6 | 164 | 0 | 0 | 0 | 110 | Q266 Y275 I277 L283 T307 S327 V328 | Q266-I316 HydrophobicContact CB-CD1 3.97Å; Q266-I316 HydrophobicContact CB-CG1 4.32Å; Q266-I316 HydrophobicContact CG-CD1 3.53Å; Q266-I316 HydrophobicContact CG-CG1 3.84Å; Y275-I316 HydrophobicContact CD1-CG2 3.97Å; Y275-I316 HydrophobicContact CD2-CB 4.43Å; Y275-I316 HydrophobicContact CG-CB 4.19Å; Y275-I316 HydrophobicContact CG-CG2 3.93Å; I277-I316 HydrophobicContact CD1-CD1 3.55Å; I277-I316 HydrophobicContact CD1-CG1 4.21Å; I277-I316 HydrophobicContact CD1-CG2 4.46Å; I277-I316 HydrophobicContact CG1-CD1 4.1Å; L283-I316 HydrophobicContact CD1-CG2 4.35Å; T307-I316 HydrophobicContact CG2-CD1 4.17Å; T307-I316 HydrophobicContact CG2-CG1 4.48Å; I316-S327 CarbonylContact O-C 3.51Å; I316-S327 VanDerWaalsContact O-CA 3.25Å; I316-S327 WeakPolarHBondContact O-CA 3.41Å; I316-V328 HydrophobicContact CG2-CB 4.12Å; I316-V328 PolarHBondContact N-O 3.36Å; I316-V328 PolarHBondContact O-N 2.82Å |
| 317 | I | 94.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 144.1 | 170.5 | -167.8 | 167.1 | 0 | 0 | 0 | 109.3 | M33 D36 T307 A308 Y310 V325 L326 | M33-I317 HydrophobicContact CE-CG2 4.1Å; M33-I317 WeakPolarHBondContact CE-O 3.44Å; M33-I317 HydrophobicContact SD-CG2 4.41Å; D36-I317 HydrophobicContact CB-CD1 4.45Å; D36-I317 HydrophobicContact CB-CG2 3.92Å; T307-I317 CarbonylContact C-O 3.49Å; T307-I317 WeakPolarHBondContact CA-O 3.42Å; T307-I317 WeakPolarHBondContact CB-O 3.39Å; A308-I317 HydrophobicContact CB-CG2 3.92Å; A308-I317 PolarHBondContact N-O 3.03Å; A308-I317 WeakPolarHBondContact O-CG2 3.22Å; A308-I317 PolarHBondContact O-N 3.3Å; Y310-I317 HydrophobicContact CD2-CB 4.5Å; Y310-I317 HydrophobicContact CD2-CD1 4.38Å; Y310-I317 HydrophobicContact CG-CB 4.47Å; I317-V325 HydrophobicContact CD1-CG1 3.97Å; I317-V325 HydrophobicContact CG1-CG1 4.14Å; I317-L326 CarbonylContact C-O 3.56Å; I317-L326 WeakPolarHBondContact CA-O 3.35Å; I317-L326 WeakPolarHBondContact CG1-O 3.45Å |
| 318 | G | 93.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 157.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V306 L326 | V306-G318 WeakPolarHBondContact O-CA 3.28Å; G318-L326 PolarHBondContact N-O 3.39Å; G318-L326 PolarHBondContact O-N 3.17Å |
| 319 | V | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 129.2 | 176.7 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | L16 L31 M33 I39 I304 F305 V306 Q324 V325 | L16-V319 HydrophobicContact CD1-CG1 3.7Å; L31-V319 HydrophobicContact CD1-CG1 4.19Å; L31-V319 HydrophobicContact CD2-CB 4.46Å; L31-V319 HydrophobicContact CD2-CG2 4.37Å; M33-V319 HydrophobicContact SD-CG2 4.06Å; I39-V319 HydrophobicContact CD1-CG2 4.17Å; I304-V319 WeakPolarHBondContact CA-O 3.15Å; F305-V319 WeakPolarHBondContact CD1-O 3.2Å; F305-V319 HydrophobicContact CE1-CG1 4.34Å; F305-V319 HydrophobicContact CZ-CG1 4.38Å; F305-V319 PolarHBondContact N-O 2.9Å; F305-V319 VanDerWaalsContact N-O 3.1Å; V306-V319 HydrophobicContact CG1-CB 3.78Å; V306-V319 HydrophobicContact CG1-CG2 4.01Å; V306-V319 PolarHBondContact O-N 3.41Å; V306-V319 VanDerWaalsContact O-N 3.08Å; V319-Q324 WeakPolarHBondContact CA-O 3.45Å; V319-V325 HydrophobicContact CG2-CG2 4.18Å |
| 320 | N | 92.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 168 | 174.6 | 77.3 | 10.2 | 0 | 0 | 0 | 112.6 | S300 D302 T303 I304 K322 G323 Q324 | S300-N320 WeakPolarHBondContact OG-CB 3.17Å; S300-N320 PolarHBondContact OG-ND2 3.35Å; D302-N320 HydrophobicContact CB-CB 4.26Å; T303-N320 WeakPolarHBondContact O-CA 3.46Å; I304-N320 HydrophobicContact CG1-CB 4.01Å; N320-K322 PolarHBondContact O-N 3.04Å; N320-K322 VanDerWaalsContact O-N 3.14Å; N320-K322 WeakPolarHBondContact OD1-CB 3.39Å; N320-K322 PolarHBondContact OD1-N 3.35Å; N320-G323 PolarHBondContact O-N 3.45Å; N320-G323 PolarHBondContact OD1-N 2.87Å; N320-G323 VanDerWaalsContact OD1-N 3.13Å; N320-Q324 PolarHBondContact N-O 2.86Å; N320-Q324 VanDerWaalsContact N-O 3.17Å; N320-Q324 PolarHBondContact ND2-OE1 3.34Å; N320-Q324 PolarHBondContact OD1-N 3.24Å |
| 321 | R | 89.1 | Confident | 91.2 | Very high | 155 Ų | 155 | 30.3 Ų | 30.3 | 59% | 0.585 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.7 | -179.8 | -70.4 | -173.2 | 177.2 | -162.9 | -2.7 | 115.3 | D302 T303 F305 G323 | D302-R321 HydrophobicContact CB-CB 4.36Å; T303-R321 PolarHBondContact O-N 3.36Å; T303-R321 VanDerWaalsContact O-N 3.12Å; F305-R321 HydrophobicContact CD1-CG 4.04Å; R321-G323 VanDerWaalsContact C-N 3.32Å |
| 322 | K | 88.4 | Confident | 91.1 | Very high | 104 Ų | 104 | 28 Ų | 28 | 45% | 0.452 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -10 | 172.4 | -79.1 | -178.8 | 179.5 | 151.7 | 0 | 113.1 | Q15 S301 D302 N320 | Q15-K322 PolarHBondContact OE1-O 3.36Å; S301-K322 PolarHBondContact OG-NZ 3.47Å; D302-K322 HydrophobicContact CB-CG 4.44Å; D302-K322 WeakPolarHBondContact OD2-CD 3.47Å; D302-K322 WeakPolarHBondContact OD2-CE 3.46Å; D302-K322 IonicContact OD2-NZ 3.48Å; D302-K322 PolarHBondContact OD2-NZ 2.79Å; N320-K322 PolarHBondContact O-N 3.04Å; N320-K322 VanDerWaalsContact O-N 3.14Å; N320-K322 WeakPolarHBondContact OD1-CB 3.39Å; N320-K322 PolarHBondContact OD1-N 3.35Å |
| 323 | G | 90.6 | Very high | 91 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | 95.9 | 6.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q15 L16 N320 R321 V325 | Q15-G323 PolarHBondContact OE1-O 3.11Å; L16-G323 WeakPolarHBondContact CB-O 3.46Å; L16-G323 WeakPolarHBondContact CG-O 3.34Å; L16-G323 PolarHBondContact N-O 3.05Å; N320-G323 PolarHBondContact O-N 3.45Å; N320-G323 PolarHBondContact OD1-N 2.87Å; N320-G323 VanDerWaalsContact OD1-N 3.13Å; R321-G323 VanDerWaalsContact C-N 3.32Å; G323-V325 PolarHBondContact O-N 3.05Å | ||
| 324 | Q | 93.4 | Very high | 91.1 | Very high | 42 Ų | 42 | 27 Ų | 27 | 20% | 0.196 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 127.7 | -180 | -61.8 | 173.4 | -73.8 | 0 | 0 | 109.2 | E12 Q15 V319 N320 L326 | E12-Q324 PolarHBondContact OE2-NE2 2.94Å; Q15-Q324 VanDerWaalsContact OE1-N 3.09Å; V319-Q324 WeakPolarHBondContact CA-O 3.45Å; N320-Q324 PolarHBondContact N-O 2.86Å; N320-Q324 VanDerWaalsContact N-O 3.17Å; N320-Q324 PolarHBondContact ND2-OE1 3.34Å; N320-Q324 PolarHBondContact OD1-N 3.24Å; Q324-L326 HydrophobicContact CB-CD1 4.3Å; Q324-L326 HydrophobicContact CB-CD2 3.86Å; Q324-L326 HydrophobicContact CB-CG 3.92Å |
| 325 | V | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 105.4 | 171.8 | -173 | 0 | 0 | 0 | 0 | 107.6 | H13 L14 L16 I39 M56 I317 V319 G323 | H13-V325 HydrophobicContact CB-CG1 4.45Å; H13-V325 PolarHBondContact N-O 2.82Å; L14-V325 HydrophobicContact CB-CB 4.14Å; L14-V325 HydrophobicContact CB-CG2 4.02Å; L14-V325 PolarHBondContact O-N 3.33Å; L16-V325 HydrophobicContact CD2-CG2 4.14Å; L16-V325 HydrophobicContact CG-CG2 4.06Å; I39-V325 HydrophobicContact CD1-CB 4.45Å; I39-V325 HydrophobicContact CD1-CG1 3.96Å; I39-V325 HydrophobicContact CD1-CG2 3.58Å; M56-V325 HydrophobicContact CE-CG1 3.89Å; M56-V325 HydrophobicContact SD-CG1 4.45Å; I317-V325 HydrophobicContact CD1-CG1 3.97Å; I317-V325 HydrophobicContact CG1-CG1 4.14Å; V319-V325 HydrophobicContact CG2-CG2 4.18Å; G323-V325 PolarHBondContact O-N 3.05Å |
| 326 | L | 94.2 | Very high | 90.9 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.3 | -170.7 | -56.9 | 176.4 | 0 | 0 | 0 | 109.7 | F10 E12 I317 G318 Q324 | F10-L326 HydrophobicContact CE1-CD2 4.42Å; F10-L326 HydrophobicContact CE2-CB 4.12Å; F10-L326 HydrophobicContact CE2-CD1 4.18Å; F10-L326 HydrophobicContact CE2-CD2 4.25Å; F10-L326 HydrophobicContact CE2-CG 4.41Å; F10-L326 HydrophobicContact CZ-CB 4.38Å; F10-L326 HydrophobicContact CZ-CD1 4.01Å; F10-L326 HydrophobicContact CZ-CD2 3.65Å; F10-L326 HydrophobicContact CZ-CG 4.22Å; E12-L326 HydrophobicContact CB-CD2 3.77Å; E12-L326 HydrophobicContact CG-CD2 3.87Å; I317-L326 CarbonylContact C-O 3.56Å; I317-L326 WeakPolarHBondContact CA-O 3.35Å; I317-L326 WeakPolarHBondContact CG1-O 3.45Å; G318-L326 PolarHBondContact N-O 3.39Å; G318-L326 PolarHBondContact O-N 3.17Å; Q324-L326 HydrophobicContact CB-CD1 4.3Å; Q324-L326 HydrophobicContact CB-CD2 3.86Å; Q324-L326 HydrophobicContact CB-CG 3.92Å |
| 327 | S | 93.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146.5 | 169.8 | 74.4 | 0 | 0 | 0 | 0 | 111.6 | Q11 H13 I316 | Q11-S327 PolarHBondContact N-O 3.18Å; Q11-S327 PolarHBondContact O-N 3.03Å; H13-S327 PolarHBondContact CD2-OG 3.49Å; H13-S327 VanDerWaalsContact NE2-CB 3.34Å; H13-S327 WeakPolarHBondContact NE2-CB 3.48Å; H13-S327 PolarHBondContact NE2-OG 3.35Å; I316-S327 CarbonylContact O-C 3.51Å; I316-S327 VanDerWaalsContact O-CA 3.25Å; I316-S327 WeakPolarHBondContact O-CA 3.41Å |
| 328 | V | 93 | Very high | 90.1 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 131.1 | 172.5 | -171.2 | 0 | 0 | 0 | 0 | 109.3 | I8 K9 F10 L283 I299 G315 I316 | I8-V328 HydrophobicContact CB-CG1 3.89Å; I8-V328 HydrophobicContact CD1-CG1 3.65Å; I8-V328 HydrophobicContact CG1-CG1 4.36Å; I8-V328 HydrophobicContact CG2-CG1 4.15Å; K9-V328 WeakPolarHBondContact O-CA 3.49Å; F10-V328 HydrophobicContact CD2-CG2 3.74Å; F10-V328 HydrophobicContact CE2-CG2 4.36Å; L283-V328 HydrophobicContact CD2-CB 3.78Å; L283-V328 HydrophobicContact CD2-CG1 3.45Å; L283-V328 VanDerWaalsContact CD2-CG1 3.45Å; L283-V328 HydrophobicContact CD2-CG2 3.75Å; I299-V328 HydrophobicContact CD1-CG2 3.81Å; I299-V328 HydrophobicContact CG2-CG2 4.38Å; G315-V328 CarbonylContact C-O 3.56Å; G315-V328 VanDerWaalsContact CA-O 3.32Å; G315-V328 WeakPolarHBondContact CA-O 3.06Å; I316-V328 HydrophobicContact CG2-CB 4.12Å; I316-V328 PolarHBondContact N-O 3.36Å; I316-V328 PolarHBondContact O-N 2.82Å |
| 329 | S | 91.8 | Very high | 89.8 | Confident | 8 Ų | 8 | 29.4 Ų | 29.4 | 6% | 0.056 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 167.5 | 172.9 | 60 | 0 | 0 | 0 | 0 | 110.6 | I8 K9 T313 | I8-S329 CarbonylContact C-O 3.53Å; I8-S329 WeakPolarHBondContact CA-O 3.5Å; I8-S329 WeakPolarHBondContact CB-O 3.46Å; K9-S329 PolarHBondContact N-O 3.29Å; K9-S329 PolarHBondContact O-N 3.5Å; T313-S329 VanDerWaalsContact OG1-CB 3.28Å; T313-S329 WeakPolarHBondContact OG1-CB 3.48Å |
| 330 | I | 90.3 | Very high | 89.3 | Confident | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 139.7 | 174.8 | -74.1 | 148.1 | 0 | 0 | 0 | 109.5 | Y271 I273 Y275 L285 I335 | Y271-I330 HydrophobicContact CD2-CB 4.32Å; Y271-I330 HydrophobicContact CD2-CD1 3.4Å; Y271-I330 VanDerWaalsContact CD2-CD1 3.4Å; Y271-I330 HydrophobicContact CD2-CG1 4.46Å; Y271-I330 HydrophobicContact CE2-CB 4.23Å; Y271-I330 HydrophobicContact CE2-CD1 4.13Å; Y271-I330 HydrophobicContact CG-CD1 3.65Å; I273-I330 HydrophobicContact CB-CD1 4.14Å; I273-I330 HydrophobicContact CD1-CD1 3.3Å; I273-I330 HydrophobicContact CD1-CG1 4.2Å; I273-I330 HydrophobicContact CG1-CD1 4.24Å; I273-I330 HydrophobicContact CG2-CD1 4.29Å; Y275-I330 VanDerWaalsContact OH-CD1 3.28Å; Y275-I330 WeakPolarHBondContact OH-CD1 3.5Å; Y275-I330 WeakPolarHBondContact OH-CG1 3.04Å; L285-I330 HydrophobicContact CD2-CG1 4.16Å; I330-I335 HydrophobicContact CB-CD1 4.32Å; I330-I335 HydrophobicContact CG1-CD1 3.96Å; I330-I335 HydrophobicContact CG2-CB 4.09Å; I330-I335 HydrophobicContact CG2-CD1 3.46Å; I330-I335 VanDerWaalsContact CG2-CD1 3.46Å; I330-I335 HydrophobicContact CG2-CG1 4.38Å; I330-I335 HydrophobicContact CG2-CG2 3.94Å |
| 331 | D | 90.3 | Very high | 88.9 | Confident | 25 Ų | 25 | 35.6 Ų | 35.6 | 13% | 0.134 | 18% | 0.178 | C | C | . | . | trans | -90.7 | 107.6 | 167.5 | -165 | -6.5 | 0 | 0 | 0 | 109.9 | P7 K9 D333 T334 I335 | P7-D331 PolarHBondContact O-N 3.07Å; K9-D331 WeakPolarHBondContact CE-OD1 3.47Å; K9-D331 WeakPolarHBondContact CE-OD2 3.47Å; K9-D331 HydrophobicContact CG-CB 3.96Å; K9-D331 IonicContact NZ-OD1 2.64Å; K9-D331 PolarHBondContact NZ-OD1 3.22Å; K9-D331 VanDerWaalsContact NZ-OD1 3.13Å; D331-D333 PolarHBondContact O-N 3.43Å; D331-D333 PolarHBondContact OD1-N 3.15Å; D331-T334 WeakPolarHBondContact CB-OG1 3.5Å; D331-T334 PolarHBondContact O-N 3.49Å; D331-I335 WeakPolarHBondContact O-CB 3.27Å; D331-I335 VanDerWaalsContact O-CG2 3.29Å; D331-I335 WeakPolarHBondContact O-CG2 3.25Å; D331-I335 PolarHBondContact O-N 3.21Å; D331-I335 VanDerWaalsContact O-N 3.09Å | ||
| 332 | E | 85.8 | Confident | 88.7 | Confident | 67 Ų | 67 | 31.5 Ų | 31.5 | 31% | 0.313 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -27.7 | -176.6 | -65.1 | -173.1 | 163.7 | 0 | 0 | 112.9 | K270 Y271 L358 P359 | K270-E332 WeakPolarHBondContact CE-OE1 3.21Å; K270-E332 IonicContact NZ-OE1 3.19Å; K270-E332 PolarHBondContact NZ-OE1 3.17Å; Y271-E332 HydrophobicContact CE1-CG 4.16Å; Y271-E332 PolarHBondContact OH-OE1 3.44Å; E332-L358 HydrophobicContact CB-CD2 3.75Å; E332-L358 HydrophobicContact CG-CD2 3.7Å; E332-P359 WeakPolarHBondContact O-CD 3.32Å |
| 333 | D | 84.3 | Confident | 88.5 | Confident | 106 Ų | 106 | 29.5 Ų | 29.5 | 57% | 0.567 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -25.7 | -175 | -63.6 | -45.2 | 0 | 0 | 0 | 113.2 | D331 | D331-D333 PolarHBondContact O-N 3.43Å; D331-D333 PolarHBondContact OD1-N 3.15Å |
| 334 | T | 86.8 | Confident | 88.3 | Confident | 13 Ų | 13 | 37.2 Ų | 37.2 | 8% | 0.08 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -24 | -171.2 | 65.4 | 0 | 0 | 0 | 0 | 113.3 | Q5 M6 P7 D331 I336 S337 Y338 | Q5-T334 HydrophobicContact CB-CG2 3.97Å; M6-T334 PolarHBondContact O-OG1 2.95Å; P7-T334 WeakPolarHBondContact CA-OG1 3.37Å; D331-T334 WeakPolarHBondContact CB-OG1 3.5Å; D331-T334 PolarHBondContact O-N 3.49Å; T334-I336 PolarHBondContact O-N 2.75Å; T334-S337 PolarHBondContact O-N 3.15Å; T334-Y338 WeakPolarHBondContact O-CB 3.28Å; T334-Y338 PolarHBondContact O-N 3.46Å |
| 335 | I | 89.1 | Confident | 87.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.5 | -42.1 | -172.3 | -173 | 158.3 | 0 | 0 | 0 | 113.7 | P7 I273 I294 I330 D331 Y338 I339 M352 L358 | P7-I335 HydrophobicContact CB-CB 4.14Å; P7-I335 HydrophobicContact CB-CG1 4.07Å; I273-I335 HydrophobicContact CD1-CD1 4.35Å; I294-I335 HydrophobicContact CG2-CD1 4.26Å; I294-I335 HydrophobicContact CG2-CG1 4.37Å; I330-I335 HydrophobicContact CB-CD1 4.32Å; I330-I335 HydrophobicContact CG1-CD1 3.96Å; I330-I335 HydrophobicContact CG2-CB 4.09Å; I330-I335 HydrophobicContact CG2-CD1 3.46Å; I330-I335 VanDerWaalsContact CG2-CD1 3.46Å; I330-I335 HydrophobicContact CG2-CG1 4.38Å; I330-I335 HydrophobicContact CG2-CG2 3.94Å; D331-I335 WeakPolarHBondContact O-CB 3.27Å; D331-I335 VanDerWaalsContact O-CG2 3.29Å; D331-I335 WeakPolarHBondContact O-CG2 3.25Å; D331-I335 PolarHBondContact O-N 3.21Å; D331-I335 VanDerWaalsContact O-N 3.09Å; I335-Y338 WeakPolarHBondContact O-CB 3.4Å; I335-Y338 PolarHBondContact O-N 3.09Å; I335-I339 HydrophobicContact CG1-CD1 3.85Å; I335-I339 HydrophobicContact CG1-CG1 4.39Å; I335-I339 VanDerWaalsContact O-CG1 3.25Å; I335-I339 WeakPolarHBondContact O-CG1 3.36Å; I335-I339 PolarHBondContact O-N 3.49Å; I335-M352 HydrophobicContact CD1-CE 3.51Å; I335-M352 HydrophobicContact CD1-SD 4.17Å; I335-M352 HydrophobicContact CG1-CE 4.21Å; I335-M352 HydrophobicContact CG1-SD 4.41Å; I335-L358 HydrophobicContact CG2-CD1 3.85Å |
| 336 | I | 87.2 | Confident | 87.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.5 | -41.5 | -179.3 | -62.2 | -54.6 | 0 | 0 | 0 | 111.1 | T334 Y338 I339 T340 A349 M352 A353 L358 P359 A361 | T334-I336 PolarHBondContact O-N 2.75Å; I336-Y338 VanDerWaalsContact C-N 3.3Å; I336-Y338 PolarHBondContact O-N 2.52Å; I336-I339 PolarHBondContact O-N 3.04Å; I336-T340 WeakPolarHBondContact O-CB 3.3Å; I336-T340 PolarHBondContact O-N 2.97Å; I336-T340 PolarHBondContact O-OG1 3.39Å; I336-A349 HydrophobicContact CG2-CB 4.26Å; I336-M352 HydrophobicContact CD1-CB 4.05Å; I336-M352 HydrophobicContact CD1-CG 4.11Å; I336-M352 HydrophobicContact CD1-SD 4.49Å; I336-A353 HydrophobicContact CD1-CB 3.87Å; I336-A353 HydrophobicContact CG1-CB 4.11Å; I336-A353 HydrophobicContact CG2-CB 4.28Å; I336-L358 HydrophobicContact CD1-CB 4.12Å; I336-L358 HydrophobicContact CD1-CD1 4.01Å; I336-L358 HydrophobicContact CG1-CB 3.68Å; I336-L358 HydrophobicContact CG1-CD1 4.25Å; I336-P359 VanDerWaalsContact CB-O 3.24Å; I336-P359 WeakPolarHBondContact CB-O 3.34Å; I336-P359 VanDerWaalsContact CG1-O 3.3Å; I336-P359 WeakPolarHBondContact CG1-O 3.41Å; I336-A361 HydrophobicContact CG2-CB 3.62Å |
| 337 | S | 84 | Confident | 86.8 | Confident | 49 Ų | 49 | 44.4 Ų | 44.4 | 34% | 0.343 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60 | -43.3 | 172.9 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | T334 T340 T341 | T334-S337 PolarHBondContact O-N 3.15Å; S337-T340 PolarHBondContact O-N 3.08Å; S337-T341 WeakPolarHBondContact O-CB 3.18Å; S337-T341 WeakPolarHBondContact O-CG2 3.37Å; S337-T341 PolarHBondContact O-N 3.11Å; S337-T341 PolarHBondContact O-OG1 2.91Å |
| 338 | Y | 87.1 | Confident | 86.4 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 14% | 0.137 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63 | -45.5 | 177.1 | -176.3 | -84.3 | 0 | 0 | 0 | 112.5 | P7 I294 Y295 T334 I335 I336 T340 T342 L343 | P7-Y338 HydrophobicContact CB-CD1 4.02Å; P7-Y338 HydrophobicContact CB-CD2 4.37Å; P7-Y338 HydrophobicContact CB-CG 3.83Å; P7-Y338 HydrophobicContact CG-CD1 3.79Å; P7-Y338 HydrophobicContact CG-CD2 4Å; P7-Y338 HydrophobicContact CG-CE1 4.03Å; P7-Y338 HydrophobicContact CG-CE2 4.19Å; P7-Y338 HydrophobicContact CG-CG 3.79Å; I294-Y338 VanDerWaalsContact O-CE1 3.28Å; I294-Y338 WeakPolarHBondContact O-CE1 3.48Å; Y295-Y338 HydrophobicContact CD2-CE1 4.31Å; Y295-Y338 HydrophobicContact CD2-CE2 4.38Å; Y295-Y338 AromaticContact CD2-CZ 3.85Å; T334-Y338 WeakPolarHBondContact O-CB 3.28Å; T334-Y338 PolarHBondContact O-N 3.46Å; I335-Y338 WeakPolarHBondContact O-CB 3.4Å; I335-Y338 PolarHBondContact O-N 3.09Å; I336-Y338 VanDerWaalsContact C-N 3.3Å; I336-Y338 PolarHBondContact O-N 2.52Å; Y338-T340 VanDerWaalsContact C-N 3.29Å; Y338-T340 PolarHBondContact O-N 3.19Å; Y338-T342 HydrophobicContact CD2-CG2 4.3Å; Y338-T342 HydrophobicContact CE1-CG2 4.34Å; Y338-T342 HydrophobicContact CE2-CG2 3.71Å; Y338-T342 WeakPolarHBondContact O-CA 3.48Å; Y338-T342 WeakPolarHBondContact O-CB 3.34Å; Y338-T342 PolarHBondContact O-N 3.23Å; Y338-L343 HydrophobicContact CD1-CD1 4.4Å; Y338-L343 HydrophobicContact CD1-CG 4.2Å; Y338-L343 HydrophobicContact CE1-CD1 4.26Å; Y338-L343 HydrophobicContact CE1-CD2 4.05Å; Y338-L343 HydrophobicContact CE1-CG 3.88Å; Y338-L343 PolarHBondContact O-N 3.18Å; Y338-L343 VanDerWaalsContact O-N 3.15Å |
| 339 | I | 86.5 | Confident | 86 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -38.2 | 177.2 | -66.2 | 164.4 | 0 | 0 | 0 | 110.9 | I294 I335 I336 L343 E344 N345 L348 A349 M352 | I294-I339 HydrophobicContact CG2-CD1 4.2Å; I294-I339 HydrophobicContact CG2-CG1 4Å; I335-I339 HydrophobicContact CG1-CD1 3.85Å; I335-I339 HydrophobicContact CG1-CG1 4.39Å; I335-I339 VanDerWaalsContact O-CG1 3.25Å; I335-I339 WeakPolarHBondContact O-CG1 3.36Å; I335-I339 PolarHBondContact O-N 3.49Å; I336-I339 PolarHBondContact O-N 3.04Å; I339-L343 HydrophobicContact CB-CD1 4.32Å; I339-L343 HydrophobicContact CG1-CD1 3.96Å; I339-L343 HydrophobicContact CG2-CD1 4.37Å; I339-L343 WeakPolarHBondContact O-CB 3.28Å; I339-E344 PolarHBondContact O-N 2.78Å; I339-N345 HydrophobicContact CG2-CB 4.31Å; I339-N345 WeakPolarHBondContact CG2-O 3.27Å; I339-N345 PolarHBondContact O-N 3.27Å; I339-N345 VanDerWaalsContact O-N 3.09Å; I339-L348 HydrophobicContact CG2-CB 4.01Å; I339-L348 HydrophobicContact CG2-CD2 4.01Å; I339-L348 HydrophobicContact CG2-CG 4.02Å; I339-A349 HydrophobicContact CB-CB 4.28Å; I339-A349 HydrophobicContact CG2-CB 3.87Å; I339-M352 HydrophobicContact CD1-SD 3.52Å; I339-M352 VanDerWaalsContact CD1-SD 3.52Å |
| 340 | T | 84 | Confident | 85.5 | Confident | 37 Ų | 37 | 45.3 Ų | 45.3 | 23% | 0.227 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -72.8 | -47 | -178.7 | -55.2 | 0 | 0 | 0 | 0 | 112 | I336 S337 Y338 E344 A349 L364 | I336-T340 WeakPolarHBondContact O-CB 3.3Å; I336-T340 PolarHBondContact O-N 2.97Å; I336-T340 PolarHBondContact O-OG1 3.39Å; S337-T340 PolarHBondContact O-N 3.08Å; Y338-T340 VanDerWaalsContact C-N 3.29Å; Y338-T340 PolarHBondContact O-N 3.19Å; T340-E344 WeakPolarHBondContact O-CA 3.21Å; T340-A349 WeakPolarHBondContact OG1-CB 3.23Å; T340-L364 HydrophobicContact CG2-CD1 3.89Å; T340-L364 HydrophobicContact CG2-CD2 4.48Å; T340-L364 HydrophobicContact CG2-CG 4.46Å |
| 341 | T | 84 | Confident | 85 | Confident | 92 Ų | 92 | 48.4 Ų | 48.4 | 56% | 0.564 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -95.3 | -39.1 | -169.6 | 60 | 0 | 0 | 0 | 0 | 113.5 | S337 | S337-T341 WeakPolarHBondContact O-CB 3.18Å; S337-T341 WeakPolarHBondContact O-CG2 3.37Å; S337-T341 PolarHBondContact O-N 3.11Å; S337-T341 PolarHBondContact O-OG1 2.91Å |
| 342 | T | 84.4 | Confident | 84.7 | Confident | 69 Ų | 69 | 47.2 Ų | 47.2 | 42% | 0.423 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -40.7 | -175.8 | -47.7 | 0 | 0 | 0 | 0 | 112.1 | Y338 | Y338-T342 HydrophobicContact CD2-CG2 4.3Å; Y338-T342 HydrophobicContact CE1-CG2 4.34Å; Y338-T342 HydrophobicContact CE2-CG2 3.71Å; Y338-T342 WeakPolarHBondContact O-CA 3.48Å; Y338-T342 WeakPolarHBondContact O-CB 3.34Å; Y338-T342 PolarHBondContact O-N 3.23Å |
| 343 | L | 84.8 | Confident | 84.6 | Confident | 62 Ų | 62 | 44 Ų | 44 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -88.5 | -8.1 | 176.5 | -57.8 | 176.6 | 0 | 0 | 0 | 113.3 | I294 Y338 I339 N345 | I294-L343 HydrophobicContact CG2-CD1 4.34Å; I294-L343 WeakPolarHBondContact O-CD1 3.34Å; Y338-L343 HydrophobicContact CD1-CD1 4.4Å; Y338-L343 HydrophobicContact CD1-CG 4.2Å; Y338-L343 HydrophobicContact CE1-CD1 4.26Å; Y338-L343 HydrophobicContact CE1-CD2 4.05Å; Y338-L343 HydrophobicContact CE1-CG 3.88Å; Y338-L343 PolarHBondContact O-N 3.18Å; Y338-L343 VanDerWaalsContact O-N 3.15Å; I339-L343 HydrophobicContact CB-CD1 4.32Å; I339-L343 HydrophobicContact CG1-CD1 3.96Å; I339-L343 HydrophobicContact CG2-CD1 4.37Å; I339-L343 WeakPolarHBondContact O-CB 3.28Å; L343-N345 HydrophobicContact CB-CB 4.47Å; L343-N345 PolarHBondContact O-N 3.22Å; L343-N345 VanDerWaalsContact O-N 3.12Å |
| 344 | E | 85.5 | Confident | 84.4 | Confident | 163 Ų | 163 | 41.2 Ų | 41.2 | 76% | 0.762 | 23% | 0.232 | S | C | * | . | trans | 50 | 35.1 | -176.3 | -59.5 | -176.3 | 170.5 | 0 | 0 | 113.3 | I339 T340 P346 | I339-E344 PolarHBondContact O-N 2.78Å; T340-E344 WeakPolarHBondContact O-CA 3.21Å; E344-P346 VanDerWaalsContact C-CD 3.47Å; E344-P346 WeakPolarHBondContact O-CD 3.43Å | ||
| 345 | N | 85.3 | Confident | 84.1 | Confident | 51 Ų | 51 | 44.3 Ų | 44.3 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | trans | -116.4 | 76 | -177.6 | -167 | -19.4 | 0 | 0 | 0 | 111.8 | I339 L343 T347 L348 A349 | I339-N345 HydrophobicContact CG2-CB 4.31Å; I339-N345 WeakPolarHBondContact CG2-O 3.27Å; I339-N345 PolarHBondContact O-N 3.27Å; I339-N345 VanDerWaalsContact O-N 3.09Å; L343-N345 HydrophobicContact CB-CB 4.47Å; L343-N345 PolarHBondContact O-N 3.22Å; L343-N345 VanDerWaalsContact O-N 3.12Å; N345-T347 PolarHBondContact O-N 2.8Å; N345-L348 HydrophobicContact CB-CB 4.24Å; N345-L348 PolarHBondContact O-N 3.41Å; N345-L348 WeakPolarHBondContact OD1-CB 3.25Å; N345-L348 PolarHBondContact OD1-N 3.31Å; N345-A349 PolarHBondContact O-N 2.95Å; N345-A349 VanDerWaalsContact O-N 3.1Å | ||
| 346 | P | 81.9 | Confident | 83.7 | Confident | 56 Ų | 56 | 45.5 Ų | 45.5 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.1 | -25.7 | -177.1 | 26.8 | -35.1 | 0 | 0 | 0 | 113 | E344 A349 L350 L364 | E344-P346 VanDerWaalsContact C-CD 3.47Å; E344-P346 WeakPolarHBondContact O-CD 3.43Å; P346-A349 PolarHBondContact O-N 3.31Å; P346-L350 WeakPolarHBondContact O-CB 3.33Å; P346-L350 WeakPolarHBondContact O-CG 3.46Å; P346-L350 PolarHBondContact O-N 2.99Å; P346-L364 HydrophobicContact CB-CD1 4.03Å; P346-L364 HydrophobicContact CB-CD2 3.98Å |
| 347 | T | 83.7 | Confident | 83.3 | Confident | 90 Ų | 90 | 49.9 Ų | 49.9 | 55% | 0.552 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -67.7 | -47.8 | 177.6 | -51.4 | 0 | 0 | 0 | 0 | 111.1 | N345 A349 L350 Q351 | N345-T347 PolarHBondContact O-N 2.8Å; T347-A349 VanDerWaalsContact C-N 3.32Å; T347-L350 PolarHBondContact O-N 3.49Å; T347-Q351 WeakPolarHBondContact O-CG 3.44Å; T347-Q351 PolarHBondContact O-N 2.97Å |
| 348 | L | 84.4 | Confident | 83.2 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 175.2 | 179.6 | 62.9 | 0 | 0 | 0 | 111 | D287 I294 I339 N345 L350 Q351 M352 | D287-L348 HydrophobicContact CB-CD1 4.26Å; I294-L348 HydrophobicContact CG1-CD2 4.43Å; I339-L348 HydrophobicContact CG2-CB 4.01Å; I339-L348 HydrophobicContact CG2-CD2 4.01Å; I339-L348 HydrophobicContact CG2-CG 4.02Å; N345-L348 HydrophobicContact CB-CB 4.24Å; N345-L348 PolarHBondContact O-N 3.41Å; N345-L348 WeakPolarHBondContact OD1-CB 3.25Å; N345-L348 PolarHBondContact OD1-N 3.31Å; L348-L350 PolarHBondContact O-N 3.46Å; L348-Q351 PolarHBondContact O-N 3.38Å; L348-M352 VanDerWaalsContact O-CB 3.23Å; L348-M352 WeakPolarHBondContact O-CB 3.26Å; L348-M352 PolarHBondContact O-N 2.93Å |
| 349 | A | 84.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.6 | -46.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I336 I339 T340 N345 P346 T347 A353 L364 | I336-A349 HydrophobicContact CG2-CB 4.26Å; I339-A349 HydrophobicContact CB-CB 4.28Å; I339-A349 HydrophobicContact CG2-CB 3.87Å; T340-A349 WeakPolarHBondContact OG1-CB 3.23Å; N345-A349 PolarHBondContact O-N 2.95Å; N345-A349 VanDerWaalsContact O-N 3.1Å; P346-A349 PolarHBondContact O-N 3.31Å; T347-A349 VanDerWaalsContact C-N 3.32Å; A349-A353 WeakPolarHBondContact O-CB 3.34Å; A349-A353 PolarHBondContact O-N 3.36Å; A349-L364 HydrophobicContact CB-CD1 4.13Å |
| 350 | L | 80.8 | Confident | 82.4 | Confident | 27 Ų | 27 | 48.3 Ų | 48.3 | 14% | 0.141 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 176.6 | -78.3 | 171.8 | 0 | 0 | 0 | 112.5 | P346 T347 L348 S354 L364 F365 K368 | P346-L350 WeakPolarHBondContact O-CB 3.33Å; P346-L350 WeakPolarHBondContact O-CG 3.46Å; P346-L350 PolarHBondContact O-N 2.99Å; T347-L350 PolarHBondContact O-N 3.49Å; L348-L350 PolarHBondContact O-N 3.46Å; L350-S354 WeakPolarHBondContact O-CB 3.47Å; L350-S354 PolarHBondContact O-N 3.47Å; L350-L364 HydrophobicContact CD1-CB 4.42Å; L350-L364 HydrophobicContact CD2-CB 3.64Å; L350-L364 HydrophobicContact CG-CB 4.03Å; L350-L364 HydrophobicContact CG-CD1 4.24Å; L350-F365 HydrophobicContact CD2-CD1 4.13Å; L350-F365 HydrophobicContact CD2-CD2 3.6Å; L350-F365 HydrophobicContact CD2-CE1 4.03Å; L350-F365 HydrophobicContact CD2-CE2 3.46Å; L350-F365 VanDerWaalsContact CD2-CE2 3.46Å; L350-F365 HydrophobicContact CD2-CG 3.91Å; L350-F365 HydrophobicContact CD2-CZ 3.68Å; L350-K368 HydrophobicContact CD1-CD 4.05Å |
| 351 | Q | 81.8 | Confident | 82.1 | Confident | 70 Ų | 70 | 46.6 Ų | 46.6 | 33% | 0.327 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.8 | -48.3 | 179.7 | -74.8 | 179.9 | -40.1 | 0 | 0 | 111.3 | T347 L348 S354 R355 | T347-Q351 WeakPolarHBondContact O-CG 3.44Å; T347-Q351 PolarHBondContact O-N 2.97Å; L348-Q351 PolarHBondContact O-N 3.38Å; Q351-S354 PolarHBondContact O-N 2.92Å; Q351-R355 WeakPolarHBondContact O-CB 3.31Å; Q351-R355 PolarHBondContact O-N 3.09Å |
| 352 | M | 83.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67 | -40.1 | -179.8 | -170.4 | 173 | 176.7 | 0 | 0 | 111.7 | I273 I294 I335 I336 I339 L348 C356 L358 | I273-M352 HydrophobicContact CD1-CE 3.32Å; I273-M352 HydrophobicContact CD1-SD 4.27Å; I273-M352 HydrophobicContact CG1-CE 4.49Å; I294-M352 HydrophobicContact CD1-SD 4.14Å; I335-M352 HydrophobicContact CD1-CE 3.51Å; I335-M352 HydrophobicContact CD1-SD 4.17Å; I335-M352 HydrophobicContact CG1-CE 4.21Å; I335-M352 HydrophobicContact CG1-SD 4.41Å; I336-M352 HydrophobicContact CD1-CB 4.05Å; I336-M352 HydrophobicContact CD1-CG 4.11Å; I336-M352 HydrophobicContact CD1-SD 4.49Å; I339-M352 HydrophobicContact CD1-SD 3.52Å; I339-M352 VanDerWaalsContact CD1-SD 3.52Å; L348-M352 VanDerWaalsContact O-CB 3.23Å; L348-M352 WeakPolarHBondContact O-CB 3.26Å; L348-M352 PolarHBondContact O-N 2.93Å; M352-C356 VanDerWaalsContact O-CB 3.31Å; M352-C356 WeakPolarHBondContact O-CB 3.41Å; M352-C356 PolarHBondContact O-N 3.5Å; M352-L358 HydrophobicContact CE-CD1 3.91Å; M352-L358 HydrophobicContact CG-CD1 4.21Å |
| 353 | A | 82.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I336 A349 N357 L358 A361 F365 P389 | I336-A353 HydrophobicContact CD1-CB 3.87Å; I336-A353 HydrophobicContact CG1-CB 4.11Å; I336-A353 HydrophobicContact CG2-CB 4.28Å; A349-A353 WeakPolarHBondContact O-CB 3.34Å; A349-A353 PolarHBondContact O-N 3.36Å; A353-N357 CarbonylContact O-C 3.54Å; A353-N357 WeakPolarHBondContact O-CA 3.4Å; A353-N357 PolarHBondContact O-N 3.24Å; A353-L358 PolarHBondContact O-N 3.37Å; A353-A361 HydrophobicContact CB-CB 3.76Å; A353-F365 HydrophobicContact CB-CE2 4.17Å; A353-P389 HydrophobicContact CB-CG 4.09Å; A353-P389 WeakPolarHBondContact O-CB 3.46Å |
| 354 | S | 80 | Confident | 81.2 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 34% | 0.336 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.3 | -49.6 | 176.3 | -169.3 | 0 | 0 | 0 | 0 | 111.7 | L350 Q351 C356 N387 | L350-S354 WeakPolarHBondContact O-CB 3.47Å; L350-S354 PolarHBondContact O-N 3.47Å; Q351-S354 PolarHBondContact O-N 2.92Å; S354-C356 PolarHBondContact O-N 2.9Å; S354-N387 PolarHBondContact OG-O 3.15Å |
| 355 | R | 81 | Confident | 81 | Confident | 77 Ų | 77 | 39.6 Ų | 39.6 | 29% | 0.291 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.8 | -40.8 | -176.8 | -175.2 | 179.2 | 72.2 | -157.9 | 5.5 | 112.8 | Y205 Y271 D287 E289 Q351 | Y205-R355 WeakPolarHBondContact OH-CD 3.47Å; Y205-R355 PolarHBondContact OH-NH1 3.23Å; Y271-R355 PolarHBondContact O-NH2 2.87Å; D287-R355 IonicContact OD1-CZ 2.74Å; D287-R355 IonicContact OD1-NH1 2.83Å; D287-R355 PolarHBondContact OD1-NH1 3.24Å; D287-R355 IonicContact OD1-NH2 2.72Å; D287-R355 PolarHBondContact OD1-NH2 3.34Å; E289-R355 IonicContact OE2-NH1 3.15Å; E289-R355 PolarHBondContact OE2-NH1 2.83Å; Q351-R355 WeakPolarHBondContact O-CB 3.31Å; Q351-R355 PolarHBondContact O-N 3.09Å |
| 356 | C | 80.1 | Confident | 80.8 | Confident | 25 Ų | 25 | 40.7 Ų | 40.7 | 17% | 0.169 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -105.9 | 6.6 | -174.1 | -60.1 | 0 | 0 | 0 | 0 | 113.4 | Y271 M352 S354 L358 | Y271-C356 HydrophobicContact CD1-CB 4.43Å; M352-C356 VanDerWaalsContact O-CB 3.31Å; M352-C356 WeakPolarHBondContact O-CB 3.41Å; M352-C356 PolarHBondContact O-N 3.5Å; S354-C356 PolarHBondContact O-N 2.9Å; C356-L358 VanDerWaalsContact C-N 3.31Å; C356-L358 HydrophobicContact CB-CD1 3.77Å; C356-L358 HydrophobicContact CB-CD2 4.42Å; C356-L358 HydrophobicContact CB-CG 3.71Å; C356-L358 PolarHBondContact O-N 2.93Å |
| 357 | N | 79.5 | Confident | 80.9 | Confident | 93 Ų | 93 | 45.1 Ų | 45.1 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 43 | -177.6 | -166.3 | 33.1 | 0 | 0 | 0 | 113.9 | A353 P389 K390 | A353-N357 CarbonylContact O-C 3.54Å; A353-N357 WeakPolarHBondContact O-CA 3.4Å; A353-N357 PolarHBondContact O-N 3.24Å; N357-P389 WeakPolarHBondContact OD1-CA 3.23Å; N357-K390 PolarHBondContact OD1-N 2.95Å |
| 358 | L | 82.3 | Confident | 80.7 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | trans | -93 | 144.8 | -175 | -59.5 | 172.8 | 0 | 0 | 0 | 112.1 | Y271 E332 I335 I336 M352 A353 C356 | Y271-L358 HydrophobicContact CE1-CD2 4.47Å; E332-L358 HydrophobicContact CB-CD2 3.75Å; E332-L358 HydrophobicContact CG-CD2 3.7Å; I335-L358 HydrophobicContact CG2-CD1 3.85Å; I336-L358 HydrophobicContact CD1-CB 4.12Å; I336-L358 HydrophobicContact CD1-CD1 4.01Å; I336-L358 HydrophobicContact CG1-CB 3.68Å; I336-L358 HydrophobicContact CG1-CD1 4.25Å; M352-L358 HydrophobicContact CE-CD1 3.91Å; M352-L358 HydrophobicContact CG-CD1 4.21Å; A353-L358 PolarHBondContact O-N 3.37Å; C356-L358 VanDerWaalsContact C-N 3.31Å; C356-L358 HydrophobicContact CB-CD1 3.77Å; C356-L358 HydrophobicContact CB-CD2 4.42Å; C356-L358 HydrophobicContact CB-CG 3.71Å; C356-L358 PolarHBondContact O-N 2.93Å | ||
| 359 | P | 79.6 | Confident | 80.7 | Confident | 16 Ų | 16 | 45.7 Ų | 45.7 | 10% | 0.104 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -73.6 | 171.6 | 175.9 | 31.3 | -35.2 | 0 | 0 | 0 | 113.6 | E332 I336 K390 | E332-P359 WeakPolarHBondContact O-CD 3.32Å; I336-P359 VanDerWaalsContact CB-O 3.24Å; I336-P359 WeakPolarHBondContact CB-O 3.34Å; I336-P359 VanDerWaalsContact CG1-O 3.3Å; I336-P359 WeakPolarHBondContact CG1-O 3.41Å; P359-K390 HydrophobicContact CB-CD 4.42Å |
| 360 | G | 76.2 | Confident | 80.7 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 94.5 | 0.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | E362 | G360-E362 PolarHBondContact N-OE1 3.49Š|
| 361 | A | 77.4 | Confident | 81 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | trans | -101.9 | 14 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | I336 A353 D363 L364 F365 | I336-A361 HydrophobicContact CG2-CB 3.62Å; A353-A361 HydrophobicContact CB-CB 3.76Å; A361-D363 PolarHBondContact O-N 2.87Å; A361-L364 HydrophobicContact CB-CD1 4.44Å; A361-L364 WeakPolarHBondContact O-CB 3.31Å; A361-L364 PolarHBondContact O-N 3.38Å; A361-F365 HydrophobicContact CB-CD2 3.84Å; A361-F365 HydrophobicContact CB-CE2 3.76Å; A361-F365 WeakPolarHBondContact O-CD2 3.47Å; A361-F365 PolarHBondContact O-N 3.06Å; A361-F365 VanDerWaalsContact O-N 3.09Å | ||
| 362 | E | 78.8 | Confident | 81.1 | Confident | 81 Ų | 81 | 48.3 Ų | 48.3 | 38% | 0.379 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -53.7 | -52.2 | -168.7 | -60.1 | 110.1 | -168.4 | 0 | 0 | 112.4 | G360 L364 F365 F366 I392 | G360-E362 PolarHBondContact N-OE1 3.49Å; E362-L364 VanDerWaalsContact C-N 3.27Å; E362-L364 PolarHBondContact O-N 3.03Å; E362-F365 PolarHBondContact O-N 3.14Å; E362-F365 VanDerWaalsContact O-N 3.15Å; E362-F366 HydrophobicContact CB-CE2 4.44Å; E362-F366 WeakPolarHBondContact O-CD2 3.3Å; E362-F366 PolarHBondContact O-N 2.93Å; E362-I392 HydrophobicContact CB-CD1 4.2Å; E362-I392 HydrophobicContact CB-CG2 4.14Å; E362-I392 HydrophobicContact CG-CD1 3.42Å; E362-I392 VanDerWaalsContact CG-CD1 3.42Å; E362-I392 HydrophobicContact CG-CG1 3.93Å; E362-I392 HydrophobicContact CG-CG2 4.16Å |
| 363 | D | 78.9 | Confident | 81.1 | Confident | 117 Ų | 117 | 49.9 Ų | 49.9 | 63% | 0.626 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.8 | -33.3 | 179.5 | -71.9 | -22.4 | 0 | 0 | 0 | 113.3 | A361 K367 | A361-D363 PolarHBondContact O-N 2.87Å; D363-K367 WeakPolarHBondContact O-CB 3.15Å; D363-K367 WeakPolarHBondContact O-CG 3.5Å; D363-K367 PolarHBondContact O-N 2.53Å |
| 364 | L | 78.1 | Confident | 81.1 | Confident | 36 Ų | 36 | 57.8 Ų | 57.8 | 19% | 0.188 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.8 | -41.5 | 177.7 | -63.8 | 176.8 | 0 | 0 | 0 | 110.8 | T340 P346 A349 L350 A361 E362 K368 | T340-L364 HydrophobicContact CG2-CD1 3.89Å; T340-L364 HydrophobicContact CG2-CD2 4.48Å; T340-L364 HydrophobicContact CG2-CG 4.46Å; P346-L364 HydrophobicContact CB-CD1 4.03Å; P346-L364 HydrophobicContact CB-CD2 3.98Å; A349-L364 HydrophobicContact CB-CD1 4.13Å; L350-L364 HydrophobicContact CD1-CB 4.42Å; L350-L364 HydrophobicContact CD2-CB 3.64Å; L350-L364 HydrophobicContact CG-CB 4.03Å; L350-L364 HydrophobicContact CG-CD1 4.24Å; A361-L364 HydrophobicContact CB-CD1 4.44Å; A361-L364 WeakPolarHBondContact O-CB 3.31Å; A361-L364 PolarHBondContact O-N 3.38Å; E362-L364 VanDerWaalsContact C-N 3.27Å; E362-L364 PolarHBondContact O-N 3.03Å; L364-K368 WeakPolarHBondContact O-CB 3.32Å; L364-K368 PolarHBondContact O-N 3.26Å |
| 365 | F | 81 | Confident | 81.4 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 2% | 0.022 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 175 | -81.9 | -81.5 | 0 | 0 | 0 | 111.2 | L350 A353 A361 E362 K368 F369 L384 A388 P389 L393 | L350-F365 HydrophobicContact CD2-CD1 4.13Å; L350-F365 HydrophobicContact CD2-CD2 3.6Å; L350-F365 HydrophobicContact CD2-CE1 4.03Å; L350-F365 HydrophobicContact CD2-CE2 3.46Å; L350-F365 VanDerWaalsContact CD2-CE2 3.46Å; L350-F365 HydrophobicContact CD2-CG 3.91Å; L350-F365 HydrophobicContact CD2-CZ 3.68Å; A353-F365 HydrophobicContact CB-CE2 4.17Å; A361-F365 HydrophobicContact CB-CD2 3.84Å; A361-F365 HydrophobicContact CB-CE2 3.76Å; A361-F365 WeakPolarHBondContact O-CD2 3.47Å; A361-F365 PolarHBondContact O-N 3.06Å; A361-F365 VanDerWaalsContact O-N 3.09Å; E362-F365 PolarHBondContact O-N 3.14Å; E362-F365 VanDerWaalsContact O-N 3.15Å; F365-K368 PolarHBondContact O-N 3Å; F365-F369 VanDerWaalsContact O-CB 3.22Å; F365-F369 WeakPolarHBondContact O-CB 3.31Å; F365-F369 PolarHBondContact O-N 3.2Å; F365-L384 HydrophobicContact CD1-CD1 3.88Å; F365-L384 HydrophobicContact CD1-CG 4.25Å; F365-L384 HydrophobicContact CE1-CD1 3.98Å; F365-A388 HydrophobicContact CD1-CB 3.86Å; F365-A388 HydrophobicContact CE1-CB 4.29Å; F365-A388 HydrophobicContact CG-CB 4.27Å; F365-P389 HydrophobicContact CD2-CG 4.09Å; F365-P389 HydrophobicContact CE2-CG 3.54Å; F365-P389 HydrophobicContact CZ-CG 4Å; F365-L393 HydrophobicContact CB-CD1 4.03Å; F365-L393 HydrophobicContact CB-CG 4.33Å; F365-L393 HydrophobicContact CD1-CD1 4.5Å |
| 366 | F | 81 | Confident | 81.4 | Confident | 73 Ų | 73 | 57 Ų | 57 | 32% | 0.32 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.3 | -50 | 175.8 | -77.7 | -67.2 | 0 | 0 | 0 | 112.6 | E362 K368 F369 D370 I392 L393 | E362-F366 HydrophobicContact CB-CE2 4.44Å; E362-F366 WeakPolarHBondContact O-CD2 3.3Å; E362-F366 PolarHBondContact O-N 2.93Å; F366-K368 VanDerWaalsContact C-N 3.35Å; F366-K368 PolarHBondContact O-N 3.06Å; F366-F369 PolarHBondContact O-N 3.33Å; F366-D370 WeakPolarHBondContact O-CB 3.46Å; F366-D370 PolarHBondContact O-N 3.05Å; F366-I392 HydrophobicContact CD2-CG2 4.26Å; F366-I392 HydrophobicContact CE2-CG2 3.4Å; F366-I392 HydrophobicContact CZ-CG2 3.61Å; F366-L393 HydrophobicContact CD1-CD2 3.32Å; F366-L393 HydrophobicContact CE1-CD2 3.46Å; F366-L393 VanDerWaalsContact CE1-CD2 3.46Å; F366-L393 HydrophobicContact CG-CD2 3.95Å; F366-L393 HydrophobicContact CZ-CD2 4.19Å |
| 367 | K | 83.3 | Confident | 81.5 | Confident | 150 Ų | 150 | 60.4 Ų | 60.4 | 65% | 0.652 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.1 | -41.4 | 179 | -74.7 | 175.3 | -177.6 | 172.7 | 0 | 112.7 | D363 S371 | D363-K367 WeakPolarHBondContact O-CB 3.15Å; D363-K367 WeakPolarHBondContact O-CG 3.5Å; D363-K367 PolarHBondContact O-N 2.53Å; K367-S371 WeakPolarHBondContact O-CB 3.4Å; K367-S371 PolarHBondContact O-N 3.37Å |
| 368 | K | 80.2 | Confident | 81.7 | Confident | 101 Ų | 101 | 58.4 Ų | 58.4 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.2 | -39.2 | 178.3 | -169.1 | 177.5 | 179.3 | -179.5 | 0 | 111.1 | L350 L364 F365 F366 S371 L372 L384 | L350-K368 HydrophobicContact CD1-CD 4.05Å; L364-K368 WeakPolarHBondContact O-CB 3.32Å; L364-K368 PolarHBondContact O-N 3.26Å; F365-K368 PolarHBondContact O-N 3Å; F366-K368 VanDerWaalsContact C-N 3.35Å; F366-K368 PolarHBondContact O-N 3.06Å; K368-S371 PolarHBondContact O-N 3.33Å; K368-L372 HydrophobicContact CG-CD1 4.42Å; K368-L372 WeakPolarHBondContact O-CG 2.93Å; K368-L372 PolarHBondContact O-N 3.37Å; K368-L384 HydrophobicContact CB-CD2 3.81Å; K368-L384 HydrophobicContact CD-CD1 4.01Å; K368-L384 HydrophobicContact CD-CD2 4.12Å; K368-L384 HydrophobicContact CG-CD2 3.76Å |
| 369 | F | 84.3 | Confident | 81.6 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 173.8 | 179.8 | -94.4 | 0 | 0 | 0 | 111.5 | F365 F366 S371 L372 F373 A381 L384 A385 L393 T398 F402 | F365-F369 VanDerWaalsContact O-CB 3.22Å; F365-F369 WeakPolarHBondContact O-CB 3.31Å; F365-F369 PolarHBondContact O-N 3.2Å; F366-F369 PolarHBondContact O-N 3.33Å; F369-S371 VanDerWaalsContact C-N 3.33Å; F369-S371 PolarHBondContact O-N 2.84Å; F369-L372 PolarHBondContact O-N 2.89Å; F369-F373 HydrophobicContact CE1-CB 4.39Å; F369-F373 AromaticContact CE1-CD2 3.97Å; F369-F373 HydrophobicContact CE1-CD2 3.97Å; F369-F373 HydrophobicContact CE1-CG 4.37Å; F369-F373 HydrophobicContact CE2-CD2 4.38Å; F369-F373 AromaticContact CZ-CD2 3.62Å; F369-F373 HydrophobicContact CZ-CD2 3.62Å; F369-F373 HydrophobicContact CZ-CE2 4.21Å; F369-F373 HydrophobicContact CZ-CG 4.44Å; F369-F373 VanDerWaalsContact O-CB 3.26Å; F369-F373 WeakPolarHBondContact O-CB 3.46Å; F369-F373 PolarHBondContact O-N 3.18Å; F369-A381 HydrophobicContact CD2-CB 4.13Å; F369-A381 WeakPolarHBondContact CD2-O 3.24Å; F369-A381 HydrophobicContact CE2-CB 3.9Å; F369-A381 WeakPolarHBondContact CE2-O 3.28Å; F369-L384 HydrophobicContact CB-CD2 3.91Å; F369-L384 VanDerWaalsContact N-CD2 3.31Å; F369-A385 HydrophobicContact CD2-CB 4.07Å; F369-A385 HydrophobicContact CE2-CB 3.87Å; F369-L393 HydrophobicContact CB-CD1 3.69Å; F369-L393 HydrophobicContact CB-CD2 4.1Å; F369-L393 HydrophobicContact CD2-CD1 4.02Å; F369-L393 HydrophobicContact CG-CD1 4.02Å; F369-L393 HydrophobicContact CG-CD2 4.23Å; F369-T398 HydrophobicContact CE1-CG2 4.11Å; F369-T398 HydrophobicContact CE2-CG2 4.03Å; F369-T398 HydrophobicContact CZ-CG2 3.5Å; F369-F402 AromaticContact CE2-CE2 3.99Å; F369-F402 HydrophobicContact CE2-CE2 3.99Å; F369-F402 HydrophobicContact CE2-CZ 4.16Å; F369-F402 AromaticContact CZ-CE2 3.79Å; F369-F402 HydrophobicContact CZ-CE2 3.79Å; F369-F402 HydrophobicContact CZ-CZ 4.2Å |
| 370 | D | 85.2 | Confident | 81.7 | Confident | 47 Ų | 47 | 64 Ų | 64 | 25% | 0.251 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 178.4 | -75.5 | -16.5 | 0 | 0 | 0 | 112.1 | F366 F373 Q374 R401 | F366-D370 WeakPolarHBondContact O-CB 3.46Å; F366-D370 PolarHBondContact O-N 3.05Å; D370-F373 PolarHBondContact O-N 3.21Å; D370-Q374 VanDerWaalsContact O-CB 3.31Å; D370-Q374 WeakPolarHBondContact O-CB 3.04Å; D370-Q374 VanDerWaalsContact O-CG 3.23Å; D370-Q374 WeakPolarHBondContact O-CG 3.42Å; D370-Q374 PolarHBondContact O-N 3.35Å; D370-R401 IonicContact OD1-CZ 3.88Å; D370-R401 IonicContact OD1-NH1 2.84Å; D370-R401 PolarHBondContact OD1-NH1 3.41Å; D370-R401 IonicContact OD1-NH2 2.84Å |
| 371 | S | 85.6 | Confident | 82.1 | Confident | 76 Ų | 76 | 62.5 Ų | 62.5 | 53% | 0.531 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 176.2 | -178.4 | 0 | 0 | 0 | 0 | 112.8 | K367 K368 F369 F373 S375 | K367-S371 WeakPolarHBondContact O-CB 3.4Å; K367-S371 PolarHBondContact O-N 3.37Å; K368-S371 PolarHBondContact O-N 3.33Å; F369-S371 VanDerWaalsContact C-N 3.33Å; F369-S371 PolarHBondContact O-N 2.84Å; S371-F373 VanDerWaalsContact C-N 3.35Å; S371-S375 WeakPolarHBondContact O-CB 3.06Å; S371-S375 PolarHBondContact O-N 3.14Å; S371-S375 PolarHBondContact O-OG 2.96Å |
| 372 | L | 84.1 | Confident | 82.2 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 15% | 0.152 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 175.9 | -70.2 | 174 | 0 | 0 | 0 | 111.9 | K368 F369 S375 G376 Q377 E380 A381 L384 | K368-L372 HydrophobicContact CG-CD1 4.42Å; K368-L372 WeakPolarHBondContact O-CG 2.93Å; K368-L372 PolarHBondContact O-N 3.37Å; F369-L372 PolarHBondContact O-N 2.89Å; L372-S375 WeakPolarHBondContact CA-OG 3.48Å; L372-S375 PolarHBondContact O-OG 3.21Å; L372-G376 PolarHBondContact O-N 3.08Å; L372-Q377 HydrophobicContact CD2-CB 4.41Å; L372-Q377 PolarHBondContact O-N 3.39Å; L372-E380 HydrophobicContact CD1-CB 4.4Å; L372-E380 HydrophobicContact CD2-CB 4.4Å; L372-A381 HydrophobicContact CB-CB 3.91Å; L372-L384 HydrophobicContact CD1-CB 4.22Å; L372-L384 HydrophobicContact CD1-CD2 3.88Å |
| 373 | F | 83.9 | Confident | 82.3 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.3 | -43.7 | 179.4 | -157.2 | -83.4 | 0 | 0 | 0 | 111.6 | F369 D370 S371 S375 G376 F378 A381 R401 F402 V405 | F369-F373 HydrophobicContact CE1-CB 4.39Å; F369-F373 AromaticContact CE1-CD2 3.97Å; F369-F373 HydrophobicContact CE1-CD2 3.97Å; F369-F373 HydrophobicContact CE1-CG 4.37Å; F369-F373 HydrophobicContact CE2-CD2 4.38Å; F369-F373 AromaticContact CZ-CD2 3.62Å; F369-F373 HydrophobicContact CZ-CD2 3.62Å; F369-F373 HydrophobicContact CZ-CE2 4.21Å; F369-F373 HydrophobicContact CZ-CG 4.44Å; F369-F373 VanDerWaalsContact O-CB 3.26Å; F369-F373 WeakPolarHBondContact O-CB 3.46Å; F369-F373 PolarHBondContact O-N 3.18Å; D370-F373 PolarHBondContact O-N 3.21Å; S371-F373 VanDerWaalsContact C-N 3.35Å; F373-S375 VanDerWaalsContact C-N 3.33Å; F373-S375 PolarHBondContact O-N 2.79Å; F373-G376 PolarHBondContact O-N 3.39Å; F373-F378 HydrophobicContact CD1-CE1 4.38Å; F373-F378 HydrophobicContact CD2-CD1 4.3Å; F373-F378 HydrophobicContact CE1-CE1 4.12Å; F373-F378 HydrophobicContact CE2-CD1 4.1Å; F373-F378 HydrophobicContact CE2-CE1 4.29Å; F373-F378 HydrophobicContact CZ-CD1 4.29Å; F373-F378 HydrophobicContact CZ-CE1 4.06Å; F373-A381 HydrophobicContact CD2-CB 4.36Å; F373-R401 HydrophobicContact CE1-CB 4.22Å; F373-R401 HydrophobicContact CE2-CB 4.25Å; F373-R401 HydrophobicContact CZ-CB 3.81Å; F373-R401 WeakPolarHBondContact CZ-O 3.22Å; F373-F402 HydrophobicContact CD2-CE1 4.35Å; F373-F402 HydrophobicContact CD2-CZ 4.2Å; F373-F402 AromaticContact CE2-CD1 3.82Å; F373-F402 HydrophobicContact CE2-CD1 3.82Å; F373-F402 HydrophobicContact CE2-CD2 4.15Å; F373-F402 AromaticContact CE2-CE1 3.77Å; F373-F402 HydrophobicContact CE2-CE1 3.77Å; F373-F402 HydrophobicContact CE2-CE2 4.09Å; F373-F402 HydrophobicContact CE2-CG 4.01Å; F373-F402 AromaticContact CE2-CZ 3.9Å; F373-F402 HydrophobicContact CE2-CZ 3.9Å; F373-V405 HydrophobicContact CE1-CG2 4.27Å; F373-V405 HydrophobicContact CZ-CG2 3.86Å |
| 374 | Q | 83.6 | Confident | 82.4 | Confident | 167 Ų | 167 | 57.9 Ų | 57.9 | 78% | 0.78 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -67.1 | -31.5 | 177 | -74.2 | 176.1 | 12.5 | 0 | 0 | 113 | D370 G376 | D370-Q374 VanDerWaalsContact O-CB 3.31Å; D370-Q374 WeakPolarHBondContact O-CB 3.04Å; D370-Q374 VanDerWaalsContact O-CG 3.23Å; D370-Q374 WeakPolarHBondContact O-CG 3.42Å; D370-Q374 PolarHBondContact O-N 3.35Å; Q374-G376 PolarHBondContact O-N 3.23Å |
| 375 | S | 85.6 | Confident | 82.5 | Confident | 69 Ų | 69 | 56.2 Ų | 56.2 | 48% | 0.483 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 1.2 | 174.9 | 58.5 | 0 | 0 | 0 | 0 | 114.1 | S371 L372 F373 Q377 | S371-S375 WeakPolarHBondContact O-CB 3.06Å; S371-S375 PolarHBondContact O-N 3.14Å; S371-S375 PolarHBondContact O-OG 2.96Å; L372-S375 WeakPolarHBondContact CA-OG 3.48Å; L372-S375 PolarHBondContact O-OG 3.21Å; F373-S375 VanDerWaalsContact C-N 3.33Å; F373-S375 PolarHBondContact O-N 2.79Å; S375-Q377 VanDerWaalsContact C-N 3.27Å; S375-Q377 PolarHBondContact O-N 3.04Å |
| 376 | G | 80.8 | Confident | 82.2 | Confident | 38 Ų | 38 | 56.7 Ų | 56.7 | 39% | 0.392 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 11 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L372 F373 Q374 F378 | L372-G376 PolarHBondContact O-N 3.08Å; F373-G376 PolarHBondContact O-N 3.39Å; Q374-G376 PolarHBondContact O-N 3.23Å; G376-F378 WeakPolarHBondContact O-CD2 3.3Å; G376-F378 PolarHBondContact O-N 3.17Å |
| 377 | Q | 82.6 | Confident | 81.9 | Confident | 98 Ų | 98 | 57 Ų | 57 | 46% | 0.458 | 30% | 0.299 | S | S | . | . | trans | -83.9 | 62.7 | 178.9 | -62 | -174.2 | 18.3 | 0 | 0 | 111.3 | L372 S375 E380 A381 | L372-Q377 HydrophobicContact CD2-CB 4.41Å; L372-Q377 PolarHBondContact O-N 3.39Å; S375-Q377 VanDerWaalsContact C-N 3.27Å; S375-Q377 PolarHBondContact O-N 3.04Å; Q377-E380 HydrophobicContact CB-CB 4.36Å; Q377-E380 PolarHBondContact O-N 3.47Å; Q377-A381 WeakPolarHBondContact O-CB 3.44Å; Q377-A381 PolarHBondContact O-N 2.87Å | ||
| 378 | F | 83.6 | Confident | 81.5 | Confident | 50 Ų | 50 | 50.2 Ų | 50.2 | 22% | 0.219 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.2 | -40.1 | -174.8 | -53.9 | -60.3 | 0 | 0 | 0 | 115 | F373 G376 E380 A381 A382 F402 V405 A414 | F373-F378 HydrophobicContact CD1-CE1 4.38Å; F373-F378 HydrophobicContact CD2-CD1 4.3Å; F373-F378 HydrophobicContact CE1-CE1 4.12Å; F373-F378 HydrophobicContact CE2-CD1 4.1Å; F373-F378 HydrophobicContact CE2-CE1 4.29Å; F373-F378 HydrophobicContact CZ-CD1 4.29Å; F373-F378 HydrophobicContact CZ-CE1 4.06Å; G376-F378 WeakPolarHBondContact O-CD2 3.3Å; G376-F378 PolarHBondContact O-N 3.17Å; F378-E380 PolarHBondContact O-N 3.39Å; F378-A381 PolarHBondContact O-N 2.96Å; F378-A382 VanDerWaalsContact O-CB 3.28Å; F378-A382 WeakPolarHBondContact O-CB 3.43Å; F378-A382 PolarHBondContact O-N 3.49Å; F378-F402 HydrophobicContact CB-CE1 4.22Å; F378-F402 HydrophobicContact CD1-CE1 4.43Å; F378-V405 HydrophobicContact CE1-CG1 4.45Å; F378-V405 HydrophobicContact CE1-CG2 3.99Å; F378-V405 HydrophobicContact CE2-CG1 4.07Å; F378-V405 HydrophobicContact CZ-CG1 3.85Å; F378-V405 HydrophobicContact CZ-CG2 4.16Å; F378-A414 HydrophobicContact CB-CB 4.43Å; F378-A414 HydrophobicContact CD2-CB 4.4Å; F378-A414 HydrophobicContact CG-CB 4.24Å |
| 379 | P | 80.5 | Confident | 81 | Confident | 54 Ų | 54 | 45.5 Ų | 45.5 | 35% | 0.351 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 176 | -22.9 | 33.4 | 0 | 0 | 0 | 113.2 | A382 K383 I421 | P379-A382 PolarHBondContact O-N 2.87Å; P379-K383 WeakPolarHBondContact O-CG 3.4Å; P379-K383 PolarHBondContact O-N 2.56Å; P379-I421 HydrophobicContact CB-CD1 4.36Å; P379-I421 WeakPolarHBondContact O-CD1 3.33Å |
| 380 | E | 81 | Confident | 80.3 | Confident | 82 Ų | 82 | 51.5 Ų | 51.5 | 38% | 0.383 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -75.7 | -36.2 | -180 | -64.6 | -56.6 | 130.2 | 0 | 0 | 111.3 | L372 Q377 F378 A382 K383 L384 | L372-E380 HydrophobicContact CD1-CB 4.4Å; L372-E380 HydrophobicContact CD2-CB 4.4Å; Q377-E380 HydrophobicContact CB-CB 4.36Å; Q377-E380 PolarHBondContact O-N 3.47Å; F378-E380 PolarHBondContact O-N 3.39Å; E380-A382 VanDerWaalsContact C-N 3.31Å; E380-A382 PolarHBondContact O-N 2.83Å; E380-K383 PolarHBondContact O-N 3.46Å; E380-K383 IonicContact OE1-NZ 2.77Å; E380-K383 PolarHBondContact OE1-NZ 2.89Å; E380-K383 IonicContact OE2-NZ 2.84Å; E380-L384 WeakPolarHBondContact O-CB 3.22Å; E380-L384 PolarHBondContact O-N 3.18Å |
| 381 | A | 83.7 | Confident | 79.5 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F369 L372 F373 Q377 F378 L384 A385 F402 | F369-A381 HydrophobicContact CD2-CB 4.13Å; F369-A381 WeakPolarHBondContact CD2-O 3.24Å; F369-A381 HydrophobicContact CE2-CB 3.9Å; F369-A381 WeakPolarHBondContact CE2-O 3.28Å; L372-A381 HydrophobicContact CB-CB 3.91Å; F373-A381 HydrophobicContact CD2-CB 4.36Å; Q377-A381 WeakPolarHBondContact O-CB 3.44Å; Q377-A381 PolarHBondContact O-N 2.87Å; F378-A381 PolarHBondContact O-N 2.96Å; A381-L384 PolarHBondContact O-N 3.35Å; A381-A385 WeakPolarHBondContact O-CB 3.31Å; A381-A385 PolarHBondContact O-N 3.17Å; A381-F402 HydrophobicContact CB-CZ 4.39Å |
| 382 | A | 81.2 | Confident | 79 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.6 | -45.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F378 P379 E380 L384 A385 A386 F402 Y418 I421 | F378-A382 VanDerWaalsContact O-CB 3.28Å; F378-A382 WeakPolarHBondContact O-CB 3.43Å; F378-A382 PolarHBondContact O-N 3.49Å; P379-A382 PolarHBondContact O-N 2.87Å; E380-A382 VanDerWaalsContact C-N 3.31Å; E380-A382 PolarHBondContact O-N 2.83Å; A382-L384 VanDerWaalsContact C-N 3.33Å; A382-L384 PolarHBondContact O-N 3.32Å; A382-A385 PolarHBondContact O-N 2.71Å; A382-A386 VanDerWaalsContact O-CB 3.3Å; A382-A386 WeakPolarHBondContact O-CB 3.13Å; A382-A386 PolarHBondContact O-N 3.26Å; A382-F402 HydrophobicContact CB-CZ 4.11Å; A382-Y418 HydrophobicContact CB-CD2 3.73Å; A382-I421 HydrophobicContact CB-CB 4.46Å; A382-I421 HydrophobicContact CB-CD1 3.57Å |
| 383 | K | 80.3 | Confident | 78.7 | Confident | 84 Ų | 84 | 47 Ų | 47 | 37% | 0.365 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 172.7 | -74.6 | 177.2 | -171.4 | 164.6 | 0 | 112.1 | P379 E380 A386 N387 I421 | P379-K383 WeakPolarHBondContact O-CG 3.4Å; P379-K383 PolarHBondContact O-N 2.56Å; E380-K383 PolarHBondContact O-N 3.46Å; E380-K383 IonicContact OE1-NZ 2.77Å; E380-K383 PolarHBondContact OE1-NZ 2.89Å; E380-K383 IonicContact OE2-NZ 2.84Å; K383-A386 PolarHBondContact O-N 2.9Å; K383-N387 WeakPolarHBondContact O-CB 3.41Å; K383-N387 PolarHBondContact O-N 3.45Å; K383-I421 HydrophobicContact CB-CG2 4.46Å; K383-I421 HydrophobicContact CG-CD1 4.25Å; K383-I421 HydrophobicContact CG-CG2 3.84Å |
| 384 | L | 80.8 | Confident | 78.6 | Confident | 20 Ų | 20 | 48 Ų | 48 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 177.5 | -176 | 73.2 | 0 | 0 | 0 | 111.4 | F365 K368 F369 L372 E380 A381 A382 A386 N387 A388 L393 | F365-L384 HydrophobicContact CD1-CD1 3.88Å; F365-L384 HydrophobicContact CD1-CG 4.25Å; F365-L384 HydrophobicContact CE1-CD1 3.98Å; K368-L384 HydrophobicContact CB-CD2 3.81Å; K368-L384 HydrophobicContact CD-CD1 4.01Å; K368-L384 HydrophobicContact CD-CD2 4.12Å; K368-L384 HydrophobicContact CG-CD2 3.76Å; F369-L384 HydrophobicContact CB-CD2 3.91Å; F369-L384 VanDerWaalsContact N-CD2 3.31Å; L372-L384 HydrophobicContact CD1-CB 4.22Å; L372-L384 HydrophobicContact CD1-CD2 3.88Å; E380-L384 WeakPolarHBondContact O-CB 3.22Å; E380-L384 PolarHBondContact O-N 3.18Å; A381-L384 PolarHBondContact O-N 3.35Å; A382-L384 VanDerWaalsContact C-N 3.33Å; A382-L384 PolarHBondContact O-N 3.32Å; L384-A386 VanDerWaalsContact C-N 3.29Å; L384-A386 PolarHBondContact O-N 2.88Å; L384-N387 PolarHBondContact O-N 3.26Å; L384-A388 PolarHBondContact O-N 3.19Å; L384-L393 HydrophobicContact CD2-CD1 4.43Å; L384-L393 HydrophobicContact CG-CD1 4.29Å |
| 385 | A | 80.6 | Confident | 78.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.9 | -35.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F369 A381 A382 L393 R394 Y418 | F369-A385 HydrophobicContact CD2-CB 4.07Å; F369-A385 HydrophobicContact CE2-CB 3.87Å; A381-A385 WeakPolarHBondContact O-CB 3.31Å; A381-A385 PolarHBondContact O-N 3.17Å; A382-A385 PolarHBondContact O-N 2.71Å; A385-L393 HydrophobicContact CB-CB 3.78Å; A385-L393 HydrophobicContact CB-CD1 4.31Å; A385-R394 WeakPolarHBondContact O-CG 3.36Å; A385-Y418 HydrophobicContact CB-CE2 3.9Å |
| 386 | A | 74.4 | Confident | 77.9 | Confident | 16 Ų | 16 | 41.1 Ų | 41.1 | 13% | 0.132 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -74.8 | -37.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A382 K383 L384 A388 I421 L422 Q425 | A382-A386 VanDerWaalsContact O-CB 3.3Å; A382-A386 WeakPolarHBondContact O-CB 3.13Å; A382-A386 PolarHBondContact O-N 3.26Å; K383-A386 PolarHBondContact O-N 2.9Å; L384-A386 VanDerWaalsContact C-N 3.29Å; L384-A386 PolarHBondContact O-N 2.88Å; A386-A388 VanDerWaalsContact C-N 3.33Å; A386-A388 PolarHBondContact O-N 3.26Å; A386-I421 HydrophobicContact CB-CG2 4.35Å; A386-L422 HydrophobicContact CB-CD2 3.42Å; A386-L422 VanDerWaalsContact CB-CD2 3.42Å; A386-L422 HydrophobicContact CB-CG 4.25Å; A386-Q425 VanDerWaalsContact C-OE1 3.32Å |
| 387 | N | 74.7 | Confident | 77.8 | Confident | 80 Ų | 80 | 46 Ų | 46 | 43% | 0.428 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -83.2 | -2 | 175.9 | -71.4 | -15.6 | 0 | 0 | 0 | 114.6 | S354 K383 L384 Q425 | S354-N387 PolarHBondContact OG-O 3.15Å; K383-N387 WeakPolarHBondContact O-CB 3.41Å; K383-N387 PolarHBondContact O-N 3.45Å; L384-N387 PolarHBondContact O-N 3.26Å; N387-Q425 VanDerWaalsContact OD1-CD 3.29Å; N387-Q425 PolarHBondContact OD1-NE2 3.27Å; N387-Q425 VanDerWaalsContact OD1-NE2 3.14Å; N387-Q425 PolarHBondContact OD1-OE1 3.37Å |
| 388 | A | 75.7 | Confident | 77.7 | Confident | 6 Ų | 6 | 41.6 Ų | 41.6 | 5% | 0.05 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -67.1 | 128.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | F365 L384 A386 G391 L393 | F365-A388 HydrophobicContact CD1-CB 3.86Å; F365-A388 HydrophobicContact CE1-CB 4.29Å; F365-A388 HydrophobicContact CG-CB 4.27Å; L384-A388 PolarHBondContact O-N 3.19Å; A386-A388 VanDerWaalsContact C-N 3.33Å; A386-A388 PolarHBondContact O-N 3.26Å; A388-G391 PolarHBondContact O-N 3.14Å; A388-G391 VanDerWaalsContact O-N 3.11Å; A388-L393 HydrophobicContact CB-CB 4.05Å; A388-L393 HydrophobicContact CB-CD1 3.99Å; A388-L393 HydrophobicContact CB-CG 3.98Å |
| 389 | P | 67.9 | Low | 77.6 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -57.6 | 145.9 | -176.6 | 20.1 | -28.7 | 0 | 0 | 0 | 110.9 | A353 N357 F365 G391 I392 | A353-P389 HydrophobicContact CB-CG 4.09Å; A353-P389 WeakPolarHBondContact O-CB 3.46Å; N357-P389 WeakPolarHBondContact OD1-CA 3.23Å; F365-P389 HydrophobicContact CD2-CG 4.09Å; F365-P389 HydrophobicContact CE2-CG 3.54Å; F365-P389 HydrophobicContact CZ-CG 4Å; P389-G391 PolarHBondContact O-N 3.47Å; P389-I392 HydrophobicContact CG-CD1 4.16Å; P389-I392 WeakPolarHBondContact O-CD1 3.46Å; P389-I392 WeakPolarHBondContact O-CG1 3.33Å; P389-I392 PolarHBondContact O-N 3.3Å |
| 390 | K | 69.6 | Low | 77.5 | Confident | 129 Ų | 129 | 42 Ų | 42 | 56% | 0.561 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | 51.2 | 17.3 | -176.9 | -56.7 | -174.4 | 177.4 | -175.8 | 0 | 114.8 | N357 P359 I392 | N357-K390 PolarHBondContact OD1-N 2.95Å; P359-K390 HydrophobicContact CB-CD 4.42Å; K390-I392 VanDerWaalsContact C-N 3.34Å; K390-I392 PolarHBondContact O-N 3.21Å |
| 391 | G | 69.7 | Low | 77.6 | Confident | 27 Ų | 27 | 43.3 Ų | 43.3 | 28% | 0.278 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | 67.2 | 26.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A388 P389 L393 R394 | A388-G391 PolarHBondContact O-N 3.14Å; A388-G391 VanDerWaalsContact O-N 3.11Å; P389-G391 PolarHBondContact O-N 3.47Å; G391-L393 PolarHBondContact O-N 3.22Å; G391-L393 VanDerWaalsContact O-N 3.1Å; G391-R394 WeakPolarHBondContact O-CB 3.2Å; G391-R394 PolarHBondContact O-N 3.47Å |
| 392 | I | 75.1 | Confident | 77.5 | Confident | 30 Ų | 30 | 43.4 Ų | 43.4 | 15% | 0.154 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -37.1 | -174.2 | -66.3 | 150.4 | 0 | 0 | 0 | 113.5 | E362 F366 P389 K390 T395 | E362-I392 HydrophobicContact CB-CD1 4.2Å; E362-I392 HydrophobicContact CB-CG2 4.14Å; E362-I392 HydrophobicContact CG-CD1 3.42Å; E362-I392 VanDerWaalsContact CG-CD1 3.42Å; E362-I392 HydrophobicContact CG-CG1 3.93Å; E362-I392 HydrophobicContact CG-CG2 4.16Å; F366-I392 HydrophobicContact CD2-CG2 4.26Å; F366-I392 HydrophobicContact CE2-CG2 3.4Å; F366-I392 HydrophobicContact CZ-CG2 3.61Å; P389-I392 HydrophobicContact CG-CD1 4.16Å; P389-I392 WeakPolarHBondContact O-CD1 3.46Å; P389-I392 WeakPolarHBondContact O-CG1 3.33Å; P389-I392 PolarHBondContact O-N 3.3Å; K390-I392 VanDerWaalsContact C-N 3.34Å; K390-I392 PolarHBondContact O-N 3.21Å; I392-T395 VanDerWaalsContact O-CG2 3.24Å; I392-T395 WeakPolarHBondContact O-CG2 3.41Å |
| 393 | L | 77.7 | Confident | 77.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -4 | -179.9 | -67.9 | 178.1 | 0 | 0 | 0 | 113.6 | F365 F366 F369 L384 A385 A388 G391 T395 T398 | F365-L393 HydrophobicContact CB-CD1 4.03Å; F365-L393 HydrophobicContact CB-CG 4.33Å; F365-L393 HydrophobicContact CD1-CD1 4.5Å; F366-L393 HydrophobicContact CD1-CD2 3.32Å; F366-L393 HydrophobicContact CE1-CD2 3.46Å; F366-L393 VanDerWaalsContact CE1-CD2 3.46Å; F366-L393 HydrophobicContact CG-CD2 3.95Å; F366-L393 HydrophobicContact CZ-CD2 4.19Å; F369-L393 HydrophobicContact CB-CD1 3.69Å; F369-L393 HydrophobicContact CB-CD2 4.1Å; F369-L393 HydrophobicContact CD2-CD1 4.02Å; F369-L393 HydrophobicContact CG-CD1 4.02Å; F369-L393 HydrophobicContact CG-CD2 4.23Å; L384-L393 HydrophobicContact CD2-CD1 4.43Å; L384-L393 HydrophobicContact CG-CD1 4.29Å; A385-L393 HydrophobicContact CB-CB 3.78Å; A385-L393 HydrophobicContact CB-CD1 4.31Å; A388-L393 HydrophobicContact CB-CB 4.05Å; A388-L393 HydrophobicContact CB-CD1 3.99Å; A388-L393 HydrophobicContact CB-CG 3.98Å; G391-L393 PolarHBondContact O-N 3.22Å; G391-L393 VanDerWaalsContact O-N 3.1Å; L393-T395 PolarHBondContact O-N 2.99Å; L393-T398 WeakPolarHBondContact O-CB 3.11Å; L393-T398 VanDerWaalsContact O-CG2 3.32Å; L393-T398 WeakPolarHBondContact O-CG2 3.25Å; L393-T398 PolarHBondContact O-OG1 3.37Å |
| 394 | R | 81.3 | Confident | 77.4 | Confident | 54 Ų | 54 | 52 Ų | 52 | 20% | 0.204 | 26% | 0.257 | C | S | . | . | trans | -87.2 | 59.7 | -179.9 | -66.4 | -179 | 60.6 | -169.9 | -4.9 | 110.7 | A385 G391 L422 Q427 N429 E432 | A385-R394 WeakPolarHBondContact O-CG 3.36Å; G391-R394 WeakPolarHBondContact O-CB 3.2Å; G391-R394 PolarHBondContact O-N 3.47Å; R394-L422 HydrophobicContact CG-CD2 4.26Å; R394-Q427 PolarHBondContact NH1-O 3.42Å; R394-Q427 VanDerWaalsContact NH1-O 3.16Å; R394-Q427 PolarHBondContact NH2-O 3.26Å; R394-N429 VanDerWaalsContact NH2-N 3.18Å; R394-N429 PolarHBondContact O-ND2 3.33Å; R394-E432 WeakPolarHBondContact CB-OE1 3.01Å; R394-E432 IonicContact CZ-OE1 2.99Å; R394-E432 IonicContact CZ-OE2 3.82Å; R394-E432 IonicContact NE-OE1 2.68Å; R394-E432 PolarHBondContact NE-OE1 3Å; R394-E432 IonicContact NE-OE2 3.82Å; R394-E432 PolarHBondContact NE-OE2 3.37Å; R394-E432 IonicContact NH2-OE1 2.68Å; R394-E432 IonicContact NH2-OE2 2.97Å; R394-E432 PolarHBondContact NH2-OE2 2.91Å | ||
| 395 | T | 78.9 | Confident | 77.3 | Confident | 36 Ų | 36 | 52.8 Ų | 52.8 | 22% | 0.221 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -110.5 | 157.2 | -174 | 73.5 | 0 | 0 | 0 | 0 | 112.2 | I392 L393 Q397 T398 I399 | I392-T395 VanDerWaalsContact O-CG2 3.24Å; I392-T395 WeakPolarHBondContact O-CG2 3.41Å; L393-T395 PolarHBondContact O-N 2.99Å; T395-Q397 PolarHBondContact O-N 3.5Å; T395-Q397 PolarHBondContact OG1-N 3.35Å; T395-T398 WeakPolarHBondContact O-CB 3.36Å; T395-T398 PolarHBondContact O-N 2.91Å; T395-T398 PolarHBondContact OG1-N 2.93Å; T395-T398 PolarHBondContact OG1-OG1 2.92Å; T395-I399 PolarHBondContact O-N 3.38Å |
| 396 | P | 76.1 | Confident | 76.6 | Confident | 57 Ų | 57 | 58.5 Ų | 58.5 | 37% | 0.37 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.4 | -31.9 | 172.2 | -26.1 | 34.7 | 0 | 0 | 0 | 113.5 | I399 Q400 F431 | P396-I399 PolarHBondContact O-N 2.93Å; P396-Q400 WeakPolarHBondContact O-CG 3.28Å; P396-Q400 PolarHBondContact O-N 2.88Å; P396-F431 HydrophobicContact CG-CD1 4.42Å; P396-F431 HydrophobicContact CG-CD2 4.18Å; P396-F431 HydrophobicContact CG-CG 4.12Å |
| 397 | Q | 79.2 | Confident | 76.1 | Confident | 139 Ų | 139 | 60.6 Ų | 60.6 | 65% | 0.65 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -66.6 | -40.4 | 177.1 | -62.6 | 174.1 | 5 | 0 | 0 | 111.4 | T395 Q400 R401 | T395-Q397 PolarHBondContact O-N 3.5Å; T395-Q397 PolarHBondContact OG1-N 3.35Å; Q397-Q400 PolarHBondContact O-N 3.31Å; Q397-R401 WeakPolarHBondContact O-CG 3.1Å; Q397-R401 PolarHBondContact O-N 2.75Å |
| 398 | T | 80.7 | Confident | 75.6 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 174.7 | -51.9 | 0 | 0 | 0 | 0 | 111 | F369 L393 T395 Q400 R401 F402 | F369-T398 HydrophobicContact CE1-CG2 4.11Å; F369-T398 HydrophobicContact CE2-CG2 4.03Å; F369-T398 HydrophobicContact CZ-CG2 3.5Å; L393-T398 WeakPolarHBondContact O-CB 3.11Å; L393-T398 VanDerWaalsContact O-CG2 3.32Å; L393-T398 WeakPolarHBondContact O-CG2 3.25Å; L393-T398 PolarHBondContact O-OG1 3.37Å; T395-T398 WeakPolarHBondContact O-CB 3.36Å; T395-T398 PolarHBondContact O-N 2.91Å; T395-T398 PolarHBondContact OG1-N 2.93Å; T395-T398 PolarHBondContact OG1-OG1 2.92Å; T398-Q400 PolarHBondContact O-N 3.04Å; T398-R401 WeakPolarHBondContact O-CB 3.29Å; T398-R401 PolarHBondContact O-N 3.35Å; T398-F402 HydrophobicContact CG2-CD2 4.03Å; T398-F402 HydrophobicContact CG2-CE2 3.83Å; T398-F402 VanDerWaalsContact O-CD2 3.27Å; T398-F402 WeakPolarHBondContact O-CD2 3.29Å; T398-F402 PolarHBondContact O-N 3.28Å |
| 399 | I | 80 | Confident | 74.7 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 176.3 | -59.8 | 170.9 | 0 | 0 | 0 | 110.5 | T395 P396 R401 F402 Q403 L415 Y418 F419 E432 | T395-I399 PolarHBondContact O-N 3.38Å; P396-I399 PolarHBondContact O-N 2.93Å; I399-R401 VanDerWaalsContact C-N 3.3Å; I399-R401 PolarHBondContact O-N 3.27Å; I399-F402 PolarHBondContact O-N 3.49Å; I399-F402 VanDerWaalsContact O-N 3.16Å; I399-Q403 WeakPolarHBondContact O-CB 3.49Å; I399-Q403 PolarHBondContact O-N 2.96Å; I399-L415 HydrophobicContact CG2-CD1 3.91Å; I399-Y418 HydrophobicContact CG1-CE1 4.07Å; I399-F419 HydrophobicContact CG2-CZ 4.4Å; I399-E432 HydrophobicContact CD1-CB 4.38Å; I399-E432 HydrophobicContact CD1-CG 3.55Å; I399-E432 HydrophobicContact CG1-CG 4.31Å |
| 400 | Q | 79.8 | Confident | 74.4 | Confident | 108 Ų | 108 | 70.3 Ų | 70.3 | 51% | 0.505 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.1 | -39.9 | 176.5 | -77.8 | 180 | -2.1 | 0 | 0 | 112.2 | P396 Q397 T398 Q403 Q404 | P396-Q400 WeakPolarHBondContact O-CG 3.28Å; P396-Q400 PolarHBondContact O-N 2.88Å; Q397-Q400 PolarHBondContact O-N 3.31Å; T398-Q400 PolarHBondContact O-N 3.04Å; Q400-Q403 PolarHBondContact O-N 3.45Å; Q400-Q404 WeakPolarHBondContact O-CG 3.44Å; Q400-Q404 PolarHBondContact O-N 2.82Å |
| 401 | R | 81.6 | Confident | 74 | Confident | 109 Ų | 109 | 71.6 Ų | 71.6 | 41% | 0.411 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 174.5 | -74.3 | -170.9 | -179.9 | -172.3 | 7.1 | 111.7 | D370 F373 Q397 T398 I399 Q403 Q404 V405 | D370-R401 IonicContact OD1-CZ 3.88Å; D370-R401 IonicContact OD1-NH1 2.84Å; D370-R401 PolarHBondContact OD1-NH1 3.41Å; D370-R401 IonicContact OD1-NH2 2.84Å; F373-R401 HydrophobicContact CE1-CB 4.22Å; F373-R401 HydrophobicContact CE2-CB 4.25Å; F373-R401 HydrophobicContact CZ-CB 3.81Å; F373-R401 WeakPolarHBondContact CZ-O 3.22Å; Q397-R401 WeakPolarHBondContact O-CG 3.1Å; Q397-R401 PolarHBondContact O-N 2.75Å; T398-R401 WeakPolarHBondContact O-CB 3.29Å; T398-R401 PolarHBondContact O-N 3.35Å; I399-R401 VanDerWaalsContact C-N 3.3Å; I399-R401 PolarHBondContact O-N 3.27Å; R401-Q403 VanDerWaalsContact C-N 3.29Å; R401-Q403 PolarHBondContact O-N 2.91Å; R401-Q404 PolarHBondContact O-N 3.13Å; R401-V405 WeakPolarHBondContact O-CG2 3.26Å |
| 402 | F | 82.4 | Confident | 73.5 | Confident | 1 Ų | 1 | 73.4 Ų | 73.4 | 0% | 0.004 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.4 | -33.6 | 174.2 | -80.3 | -74.7 | 0 | 0 | 0 | 112.7 | F369 F373 F378 A381 A382 T398 I399 A414 L415 Y418 | F369-F402 AromaticContact CE2-CE2 3.99Å; F369-F402 HydrophobicContact CE2-CE2 3.99Å; F369-F402 HydrophobicContact CE2-CZ 4.16Å; F369-F402 AromaticContact CZ-CE2 3.79Å; F369-F402 HydrophobicContact CZ-CE2 3.79Å; F369-F402 HydrophobicContact CZ-CZ 4.2Å; F373-F402 HydrophobicContact CD2-CE1 4.35Å; F373-F402 HydrophobicContact CD2-CZ 4.2Å; F373-F402 AromaticContact CE2-CD1 3.82Å; F373-F402 HydrophobicContact CE2-CD1 3.82Å; F373-F402 HydrophobicContact CE2-CD2 4.15Å; F373-F402 AromaticContact CE2-CE1 3.77Å; F373-F402 HydrophobicContact CE2-CE1 3.77Å; F373-F402 HydrophobicContact CE2-CE2 4.09Å; F373-F402 HydrophobicContact CE2-CG 4.01Å; F373-F402 AromaticContact CE2-CZ 3.9Å; F373-F402 HydrophobicContact CE2-CZ 3.9Å; F378-F402 HydrophobicContact CB-CE1 4.22Å; F378-F402 HydrophobicContact CD1-CE1 4.43Å; A381-F402 HydrophobicContact CB-CZ 4.39Å; A382-F402 HydrophobicContact CB-CZ 4.11Å; T398-F402 HydrophobicContact CG2-CD2 4.03Å; T398-F402 HydrophobicContact CG2-CE2 3.83Å; T398-F402 VanDerWaalsContact O-CD2 3.27Å; T398-F402 WeakPolarHBondContact O-CD2 3.29Å; T398-F402 PolarHBondContact O-N 3.28Å; I399-F402 PolarHBondContact O-N 3.49Å; I399-F402 VanDerWaalsContact O-N 3.16Å; F402-A414 HydrophobicContact CD1-CB 4.1Å; F402-L415 HydrophobicContact CB-CB 4.47Å; F402-L415 HydrophobicContact CB-CD1 4.02Å; F402-Y418 HydrophobicContact CD2-CD1 4.19Å; F402-Y418 AromaticContact CD2-CD2 3.91Å; F402-Y418 HydrophobicContact CD2-CD2 3.91Å; F402-Y418 HydrophobicContact CD2-CE2 4.31Å; F402-Y418 AromaticContact CD2-CG 3.83Å; F402-Y418 HydrophobicContact CD2-CG 3.83Å; F402-Y418 AromaticContact CE2-CD2 3.44Å; F402-Y418 HydrophobicContact CE2-CD2 3.44Å; F402-Y418 VanDerWaalsContact CE2-CD2 3.44Å; F402-Y418 AromaticContact CE2-CE2 3.8Å; F402-Y418 HydrophobicContact CE2-CE2 3.8Å; F402-Y418 AromaticContact CE2-CG 3.84Å; F402-Y418 HydrophobicContact CE2-CG 3.84Å; F402-Y418 HydrophobicContact CG-CG 4.25Å; F402-Y418 AromaticContact CZ-CD2 3.81Å; F402-Y418 HydrophobicContact CZ-CD2 3.81Å; F402-Y418 HydrophobicContact CZ-CE2 4.48Å; F402-Y418 HydrophobicContact CZ-CG 4.25Å |
| 403 | Q | 79 | Confident | 73.4 | Confident | 109 Ų | 109 | 73.7 Ų | 73.7 | 51% | 0.509 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -71.5 | -33.2 | 178.9 | -169.1 | 177.5 | 22.3 | 0 | 0 | 113.2 | I399 Q400 R401 V405 | I399-Q403 WeakPolarHBondContact O-CB 3.49Å; I399-Q403 PolarHBondContact O-N 2.96Å; Q400-Q403 PolarHBondContact O-N 3.45Å; R401-Q403 VanDerWaalsContact C-N 3.29Å; R401-Q403 PolarHBondContact O-N 2.91Å; Q403-V405 VanDerWaalsContact C-N 3.25Å; Q403-V405 PolarHBondContact O-N 3.17Å |
| 404 | Q | 79.4 | Confident | 73.3 | Confident | 157 Ų | 157 | 74 Ų | 74 | 73% | 0.734 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -10.8 | 179 | -73.5 | 175 | 2.2 | 0 | 0 | 113.9 | Q400 R401 S406 | Q400-Q404 WeakPolarHBondContact O-CG 3.44Å; Q400-Q404 PolarHBondContact O-N 2.82Å; R401-Q404 PolarHBondContact O-N 3.13Å; Q404-S406 PolarHBondContact O-N 3.49Å |
| 405 | V | 78.9 | Confident | 73.2 | Confident | 35 Ų | 35 | 72.8 Ų | 72.8 | 21% | 0.212 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -71.9 | 108.6 | 178.1 | -177 | 0 | 0 | 0 | 0 | 110 | F373 F378 R401 Q403 S407 A414 | F373-V405 HydrophobicContact CE1-CG2 4.27Å; F373-V405 HydrophobicContact CZ-CG2 3.86Å; F378-V405 HydrophobicContact CE1-CG1 4.45Å; F378-V405 HydrophobicContact CE1-CG2 3.99Å; F378-V405 HydrophobicContact CE2-CG1 4.07Å; F378-V405 HydrophobicContact CZ-CG1 3.85Å; F378-V405 HydrophobicContact CZ-CG2 4.16Å; R401-V405 WeakPolarHBondContact O-CG2 3.26Å; Q403-V405 VanDerWaalsContact C-N 3.25Å; Q403-V405 PolarHBondContact O-N 3.17Å; V405-S407 PolarHBondContact O-N 3.18Å; V405-S407 PolarHBondContact O-OG 2.89Å; V405-A414 HydrophobicContact CB-CB 4.14Å; V405-A414 HydrophobicContact CG1-CB 4.16Å; V405-A414 HydrophobicContact CG2-CB 4.43Å |
| 406 | S | 67.4 | Low | 73.1 | Confident | 120 Ų | 120 | 76.5 Ų | 76.5 | 84% | 0.839 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 121.2 | 175.9 | 47.4 | 0 | 0 | 0 | 0 | 110.8 | Q404 | Q404-S406 PolarHBondContact O-N 3.49Š|
| 407 | S | 63.6 | Low | 73.2 | Confident | 60 Ų | 60 | 77 Ų | 77 | 42% | 0.42 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -101.4 | 125.4 | -176.2 | -50.5 | 0 | 0 | 0 | 0 | 110.3 | V405 | V405-S407 PolarHBondContact O-N 3.18Å; V405-S407 PolarHBondContact O-OG 2.89Å |
| 408 | A | 64.3 | Low | 73.3 | Confident | 62 Ų | 62 | 70.4 Ų | 70.4 | 51% | 0.512 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 147.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G410 Q411 | A408-G410 PolarHBondContact O-N 3.04Å; A408-G410 VanDerWaalsContact O-N 3.14Å; A408-Q411 PolarHBondContact O-N 2.9Å |
| 409 | P | 55.5 | Low | 73.4 | Confident | 143 Ų | 143 | 70.3 Ų | 70.3 | 93% | 0.929 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 118.7 | 179.8 | -20.1 | 30.5 | 0 | 0 | 0 | 111.5 | ||
| 410 | G | 61.4 | Low | 73.3 | Confident | 88 Ų | 88 | 71.4 Ų | 71.4 | 91% | 0.907 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.7 | -13.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.6 | A408 | A408-G410 PolarHBondContact O-N 3.04Å; A408-G410 VanDerWaalsContact O-N 3.14Å |
| 411 | Q | 61.3 | Low | 73.3 | Confident | 157 Ų | 157 | 67.7 Ų | 67.7 | 73% | 0.734 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -94.5 | 142.7 | 170.4 | -72.8 | -153.4 | -18.1 | 0 | 0 | 112.1 | A408 S413 | A408-Q411 PolarHBondContact O-N 2.9Å; Q411-S413 PolarHBondContact O-N 3.34Å |
| 412 | A | 60.1 | Low | 73.1 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 54% | 0.537 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 124.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110 | A414 Q417 | A412-A414 PolarHBondContact O-N 3.22Å; A412-Q417 HydrophobicContact CB-CG 4.39Å; A412-Q417 PolarHBondContact O-NE2 3.28Å; A412-Q417 VanDerWaalsContact O-NE2 3.09Å |
| 413 | S | 72.5 | Confident | 72.9 | Confident | 35 Ų | 35 | 63.3 Ų | 63.3 | 25% | 0.245 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -51.2 | 138 | 178.1 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | Q411 L415 L416 Q417 | Q411-S413 PolarHBondContact O-N 3.34Å; S413-L415 PolarHBondContact O-N 3.16Å; S413-L415 VanDerWaalsContact O-N 3.11Å; S413-L415 PolarHBondContact OG-N 2.97Å; S413-L416 WeakPolarHBondContact O-CB 3.45Å; S413-L416 PolarHBondContact O-N 3.27Å; S413-Q417 PolarHBondContact O-N 3.17Å; S413-Q417 VanDerWaalsContact O-N 3.14Å |
| 414 | A | 76 | Confident | 72.7 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 5% | 0.05 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -54.1 | -31.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | F378 F402 V405 A412 Q417 Y418 | F378-A414 HydrophobicContact CB-CB 4.43Å; F378-A414 HydrophobicContact CD2-CB 4.4Å; F378-A414 HydrophobicContact CG-CB 4.24Å; F402-A414 HydrophobicContact CD1-CB 4.1Å; V405-A414 HydrophobicContact CB-CB 4.14Å; V405-A414 HydrophobicContact CG1-CB 4.16Å; V405-A414 HydrophobicContact CG2-CB 4.43Å; A412-A414 PolarHBondContact O-N 3.22Å; A414-Q417 PolarHBondContact O-N 3.13Å; A414-Y418 PolarHBondContact O-N 3.31Å |
| 415 | L | 79.2 | Confident | 72.3 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 15% | 0.152 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67 | -39.7 | 175.3 | -174.7 | 65.6 | 0 | 0 | 0 | 113.2 | I399 F402 S413 Y418 F419 | I399-L415 HydrophobicContact CG2-CD1 3.91Å; F402-L415 HydrophobicContact CB-CB 4.47Å; F402-L415 HydrophobicContact CB-CD1 4.02Å; S413-L415 PolarHBondContact O-N 3.16Å; S413-L415 VanDerWaalsContact O-N 3.11Å; S413-L415 PolarHBondContact OG-N 2.97Å; L415-Y418 WeakPolarHBondContact O-CB 3.02Å; L415-Y418 PolarHBondContact O-N 3.07Å; L415-F419 HydrophobicContact CD1-CD2 4.13Å; L415-F419 HydrophobicContact CD1-CE2 3.51Å; L415-F419 HydrophobicContact CD1-CZ 3.96Å; L415-F419 HydrophobicContact CD2-CE2 4.06Å; L415-F419 HydrophobicContact CG-CD2 3.93Å; L415-F419 HydrophobicContact CG-CE2 3.54Å; L415-F419 HydrophobicContact CG-CZ 4.46Å; L415-F419 VanDerWaalsContact O-CD2 3.22Å; L415-F419 WeakPolarHBondContact O-CD2 3.2Å; L415-F419 PolarHBondContact O-N 3.35Å |
| 416 | L | 76.3 | Confident | 71.9 | Confident | 115 Ų | 115 | 61.1 Ų | 61.1 | 60% | 0.602 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -68.1 | -36.4 | 176.1 | -102.1 | 152.1 | 0 | 0 | 0 | 111.6 | S413 G420 | S413-L416 WeakPolarHBondContact O-CB 3.45Å; S413-L416 PolarHBondContact O-N 3.27Å; L416-G420 PolarHBondContact O-N 3.21Å |
| 417 | Q | 78.9 | Confident | 72.5 | Confident | 66 Ų | 66 | 60.5 Ų | 60.5 | 31% | 0.308 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 173.6 | -62.9 | 179.5 | 22.8 | 0 | 0 | 111.2 | A412 S413 A414 G420 I421 | A412-Q417 HydrophobicContact CB-CG 4.39Å; A412-Q417 PolarHBondContact O-NE2 3.28Å; A412-Q417 VanDerWaalsContact O-NE2 3.09Å; S413-Q417 PolarHBondContact O-N 3.17Å; S413-Q417 VanDerWaalsContact O-N 3.14Å; A414-Q417 PolarHBondContact O-N 3.13Å; Q417-G420 PolarHBondContact O-N 3.24Å; Q417-I421 WeakPolarHBondContact O-CG1 3.06Å; Q417-I421 PolarHBondContact O-N 3Å |
| 418 | Y | 81.7 | Confident | 73.3 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 0% | 0.004 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.1 | -51.9 | 175.3 | 175.8 | -112.9 | 0 | 0 | 0 | 112.3 | A382 A385 I399 F402 A414 L415 G420 I421 L422 E432 | A382-Y418 HydrophobicContact CB-CD2 3.73Å; A385-Y418 HydrophobicContact CB-CE2 3.9Å; I399-Y418 HydrophobicContact CG1-CE1 4.07Å; F402-Y418 HydrophobicContact CD2-CD1 4.19Å; F402-Y418 AromaticContact CD2-CD2 3.91Å; F402-Y418 HydrophobicContact CD2-CD2 3.91Å; F402-Y418 HydrophobicContact CD2-CE2 4.31Å; F402-Y418 AromaticContact CD2-CG 3.83Å; F402-Y418 HydrophobicContact CD2-CG 3.83Å; F402-Y418 AromaticContact CE2-CD2 3.44Å; F402-Y418 HydrophobicContact CE2-CD2 3.44Å; F402-Y418 VanDerWaalsContact CE2-CD2 3.44Å; F402-Y418 AromaticContact CE2-CE2 3.8Å; F402-Y418 HydrophobicContact CE2-CE2 3.8Å; F402-Y418 AromaticContact CE2-CG 3.84Å; F402-Y418 HydrophobicContact CE2-CG 3.84Å; F402-Y418 HydrophobicContact CG-CG 4.25Å; F402-Y418 AromaticContact CZ-CD2 3.81Å; F402-Y418 HydrophobicContact CZ-CD2 3.81Å; F402-Y418 HydrophobicContact CZ-CE2 4.48Å; F402-Y418 HydrophobicContact CZ-CG 4.25Å; A414-Y418 PolarHBondContact O-N 3.31Å; L415-Y418 WeakPolarHBondContact O-CB 3.02Å; L415-Y418 PolarHBondContact O-N 3.07Å; Y418-G420 VanDerWaalsContact C-N 3.34Å; Y418-G420 PolarHBondContact O-N 3.11Å; Y418-I421 PolarHBondContact O-N 2.85Å; Y418-L422 HydrophobicContact CD1-CD1 3.85Å; Y418-L422 HydrophobicContact CD2-CD1 4.25Å; Y418-L422 HydrophobicContact CD2-CG 4.5Å; Y418-L422 HydrophobicContact CE1-CD1 3.36Å; Y418-L422 HydrophobicContact CE1-CG 4.5Å; Y418-L422 HydrophobicContact CE2-CD1 3.8Å; Y418-L422 HydrophobicContact CE2-CG 4.17Å; Y418-L422 HydrophobicContact CG-CD1 4.29Å; Y418-L422 WeakPolarHBondContact O-CG 3.45Å; Y418-L422 PolarHBondContact O-N 3.24Å; Y418-E432 PolarHBondContact OH-OE1 3.32Å |
| 419 | F | 81.7 | Confident | 74 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 2% | 0.022 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.3 | -36 | 177.2 | -70.5 | -52.5 | 0 | 0 | 0 | 113 | I399 L415 L422 L423 L428 E432 E435 L436 | I399-F419 HydrophobicContact CG2-CZ 4.4Å; L415-F419 HydrophobicContact CD1-CD2 4.13Å; L415-F419 HydrophobicContact CD1-CE2 3.51Å; L415-F419 HydrophobicContact CD1-CZ 3.96Å; L415-F419 HydrophobicContact CD2-CE2 4.06Å; L415-F419 HydrophobicContact CG-CD2 3.93Å; L415-F419 HydrophobicContact CG-CE2 3.54Å; L415-F419 HydrophobicContact CG-CZ 4.46Å; L415-F419 VanDerWaalsContact O-CD2 3.22Å; L415-F419 WeakPolarHBondContact O-CD2 3.2Å; L415-F419 PolarHBondContact O-N 3.35Å; F419-L422 HydrophobicContact CD1-CD1 4.31Å; F419-L422 PolarHBondContact O-N 2.98Å; F419-L423 VanDerWaalsContact O-CB 3.31Å; F419-L423 WeakPolarHBondContact O-CB 3.48Å; F419-L423 WeakPolarHBondContact O-CG 3.37Å; F419-L423 PolarHBondContact O-N 3.38Å; F419-L428 HydrophobicContact CD1-CD1 4.25Å; F419-L428 HydrophobicContact CD1-CD2 4.21Å; F419-E432 HydrophobicContact CD1-CB 4.47Å; F419-E432 HydrophobicContact CE1-CB 3.74Å; F419-E432 HydrophobicContact CE1-CG 4.03Å; F419-E435 HydrophobicContact CZ-CB 4.25Å; F419-L436 HydrophobicContact CB-CD1 4.14Å; F419-L436 HydrophobicContact CD1-CB 4.49Å; F419-L436 HydrophobicContact CD2-CB 4.32Å; F419-L436 HydrophobicContact CD2-CD1 3.95Å; F419-L436 HydrophobicContact CE2-CB 4.29Å; F419-L436 HydrophobicContact CG-CB 4.42Å; F419-L436 HydrophobicContact CG-CD1 4.13Å; F419-L436 HydrophobicContact CZ-CB 4.41Å |
| 420 | G | 78.7 | Confident | 75.1 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L416 Q417 Y418 L423 D424 | L416-G420 PolarHBondContact O-N 3.21Å; Q417-G420 PolarHBondContact O-N 3.24Å; Y418-G420 VanDerWaalsContact C-N 3.34Å; Y418-G420 PolarHBondContact O-N 3.11Å; G420-L423 PolarHBondContact O-N 2.96Å; G420-D424 PolarHBondContact O-N 3.19Å; G420-D424 VanDerWaalsContact O-N 3.09Å |
| 421 | I | 79.4 | Confident | 75.9 | Confident | 29 Ų | 29 | 53.7 Ų | 53.7 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 177.8 | -69 | 162.2 | 0 | 0 | 0 | 111.2 | P379 A382 K383 A386 Q417 Y418 D424 Q425 | P379-I421 HydrophobicContact CB-CD1 4.36Å; P379-I421 WeakPolarHBondContact O-CD1 3.33Å; A382-I421 HydrophobicContact CB-CB 4.46Å; A382-I421 HydrophobicContact CB-CD1 3.57Å; K383-I421 HydrophobicContact CB-CG2 4.46Å; K383-I421 HydrophobicContact CG-CD1 4.25Å; K383-I421 HydrophobicContact CG-CG2 3.84Å; A386-I421 HydrophobicContact CB-CG2 4.35Å; Q417-I421 WeakPolarHBondContact O-CG1 3.06Å; Q417-I421 PolarHBondContact O-N 3Å; Y418-I421 PolarHBondContact O-N 2.85Å; I421-D424 PolarHBondContact O-N 3.21Å; I421-Q425 WeakPolarHBondContact O-CG 3.33Å; I421-Q425 PolarHBondContact O-N 3.44Å |
| 422 | L | 78 | Confident | 76.8 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 177.3 | -76.1 | 172.4 | 0 | 0 | 0 | 112.4 | A386 R394 Y418 F419 D424 Q425 G426 L428 E432 | A386-L422 HydrophobicContact CB-CD2 3.42Å; A386-L422 VanDerWaalsContact CB-CD2 3.42Å; A386-L422 HydrophobicContact CB-CG 4.25Å; R394-L422 HydrophobicContact CG-CD2 4.26Å; Y418-L422 HydrophobicContact CD1-CD1 3.85Å; Y418-L422 HydrophobicContact CD2-CD1 4.25Å; Y418-L422 HydrophobicContact CD2-CG 4.5Å; Y418-L422 HydrophobicContact CE1-CD1 3.36Å; Y418-L422 HydrophobicContact CE1-CG 4.5Å; Y418-L422 HydrophobicContact CE2-CD1 3.8Å; Y418-L422 HydrophobicContact CE2-CG 4.17Å; Y418-L422 HydrophobicContact CG-CD1 4.29Å; Y418-L422 WeakPolarHBondContact O-CG 3.45Å; Y418-L422 PolarHBondContact O-N 3.24Å; F419-L422 HydrophobicContact CD1-CD1 4.31Å; F419-L422 PolarHBondContact O-N 2.98Å; L422-D424 VanDerWaalsContact C-N 3.27Å; L422-D424 PolarHBondContact O-N 3.22Å; L422-Q425 PolarHBondContact O-N 3.25Å; L422-G426 PolarHBondContact O-N 2.93Å; L422-L428 HydrophobicContact CB-CD2 3.4Å; L422-L428 VanDerWaalsContact CB-CD2 3.4Å; L422-L428 HydrophobicContact CD1-CD2 3.78Å; L422-L428 HydrophobicContact CG-CD2 4.22Å; L422-E432 HydrophobicContact CD1-CG 4.47Å |
| 423 | L | 76.8 | Confident | 77.9 | Confident | 14 Ų | 14 | 43.1 Ų | 43.1 | 7% | 0.073 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.5 | -30.2 | 177.8 | -75 | 169.9 | 0 | 0 | 0 | 112.6 | F419 G420 L428 L436 W452 K457 | F419-L423 VanDerWaalsContact O-CB 3.31Å; F419-L423 WeakPolarHBondContact O-CB 3.48Å; F419-L423 WeakPolarHBondContact O-CG 3.37Å; F419-L423 PolarHBondContact O-N 3.38Å; G420-L423 PolarHBondContact O-N 2.96Å; L423-L428 HydrophobicContact CD2-CD1 3.72Å; L423-L428 HydrophobicContact CD2-CG 3.89Å; L423-L428 HydrophobicContact CG-CD1 4.12Å; L423-L428 HydrophobicContact CG-CG 4.36Å; L423-L436 HydrophobicContact CD1-CD2 3.98Å; L423-L436 HydrophobicContact CD2-CD2 4.46Å; L423-W452 HydrophobicContact CD1-CD2 4.48Å; L423-W452 HydrophobicContact CD1-CZ2 4.03Å; L423-W452 HydrophobicContact CD2-CG 4.39Å; L423-K457 HydrophobicContact CB-CD 4.3Å; L423-K457 HydrophobicContact CD2-CB 3.67Å; L423-K457 HydrophobicContact CD2-CD 3.99Å; L423-K457 HydrophobicContact CD2-CG 4.39Å; L423-K457 VanDerWaalsContact O-CD 3.28Å; L423-K457 WeakPolarHBondContact O-CD 3.48Å; L423-K457 WeakPolarHBondContact O-CE 3.41Å; L423-K457 PolarHBondContact O-NZ 3.23Å |
| 424 | D | 75.5 | Confident | 78.2 | Confident | 138 Ų | 138 | 42.3 Ų | 42.3 | 74% | 0.738 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -77.8 | -30 | 175.5 | -74.2 | -16.5 | 0 | 0 | 0 | 112 | G420 I421 L422 | G420-D424 PolarHBondContact O-N 3.19Å; G420-D424 VanDerWaalsContact O-N 3.09Å; I421-D424 PolarHBondContact O-N 3.21Å; L422-D424 VanDerWaalsContact C-N 3.27Å; L422-D424 PolarHBondContact O-N 3.22Å |
| 425 | Q | 71.2 | Confident | 78.4 | Confident | 85 Ų | 85 | 44.7 Ų | 44.7 | 40% | 0.397 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -87.4 | -30.1 | -179.6 | -71.3 | -168.5 | 0.9 | 0 | 0 | 114.1 | A386 N387 I421 L422 | A386-Q425 VanDerWaalsContact C-OE1 3.32Å; N387-Q425 VanDerWaalsContact OD1-CD 3.29Å; N387-Q425 PolarHBondContact OD1-NE2 3.27Å; N387-Q425 VanDerWaalsContact OD1-NE2 3.14Å; N387-Q425 PolarHBondContact OD1-OE1 3.37Å; I421-Q425 WeakPolarHBondContact O-CG 3.33Å; I421-Q425 PolarHBondContact O-N 3.44Å; L422-Q425 PolarHBondContact O-N 3.25Å |
| 426 | G | 71.3 | Confident | 78.5 | Confident | 31 Ų | 31 | 43.8 Ų | 43.8 | 32% | 0.32 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 170.8 | -157.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L422 | L422-G426 PolarHBondContact O-N 2.93Š|
| 427 | Q | 78.5 | Confident | 78.7 | Confident | 107 Ų | 107 | 38.3 Ų | 38.3 | 50% | 0.5 | 20% | 0.2 | S | C | . | . | trans | -77.9 | 130.8 | -176.6 | -174.5 | 175.1 | 28 | 0 | 0 | 111.5 | R394 D456 L458 | R394-Q427 PolarHBondContact NH1-O 3.42Å; R394-Q427 VanDerWaalsContact NH1-O 3.16Å; R394-Q427 PolarHBondContact NH2-O 3.26Å; Q427-D456 VanDerWaalsContact CG-O 3.29Å; Q427-D456 WeakPolarHBondContact CG-O 3.34Å; Q427-L458 PolarHBondContact NE2-O 3.32Å | ||
| 428 | L | 80.5 | Confident | 78.7 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -69.2 | 146.1 | 171.7 | -65.4 | -174.4 | 0 | 0 | 0 | 111.5 | F419 L422 L423 E432 S433 L436 K457 L458 E459 | F419-L428 HydrophobicContact CD1-CD1 4.25Å; F419-L428 HydrophobicContact CD1-CD2 4.21Å; L422-L428 HydrophobicContact CB-CD2 3.4Å; L422-L428 VanDerWaalsContact CB-CD2 3.4Å; L422-L428 HydrophobicContact CD1-CD2 3.78Å; L422-L428 HydrophobicContact CG-CD2 4.22Å; L423-L428 HydrophobicContact CD2-CD1 3.72Å; L423-L428 HydrophobicContact CD2-CG 3.89Å; L423-L428 HydrophobicContact CG-CD1 4.12Å; L423-L428 HydrophobicContact CG-CG 4.36Å; L428-E432 WeakPolarHBondContact CA-OE2 3.42Å; L428-E432 HydrophobicContact CB-CB 3.99Å; L428-E432 HydrophobicContact CD2-CB 4.21Å; L428-E432 HydrophobicContact CG-CB 4.48Å; L428-S433 WeakPolarHBondContact CB-OG 3.46Å; L428-S433 PolarHBondContact O-OG 2.84Å; L428-L436 HydrophobicContact CD1-CB 4.44Å; L428-L436 HydrophobicContact CD1-CD2 3.5Å; L428-K457 WeakPolarHBondContact CB-O 3.36Å; L428-K457 PolarHBondContact N-O 2.94Å; L428-L458 HydrophobicContact CD1-CD2 3.87Å; L428-E459 WeakPolarHBondContact O-CB 3.5Å; L428-E459 PolarHBondContact O-N 2.87Å |
| 429 | N | 80.3 | Confident | 78.5 | Confident | 32 Ų | 32 | 43.3 Ų | 43.3 | 17% | 0.171 | 22% | 0.223 | C | C | . | . | trans | -79.1 | 174.8 | 175.7 | 72.1 | 32.4 | 0 | 0 | 0 | 112 | R394 F431 E432 S433 E459 | R394-N429 VanDerWaalsContact NH2-N 3.18Å; R394-N429 PolarHBondContact O-ND2 3.33Å; N429-F431 VanDerWaalsContact C-N 3.34Å; N429-F431 PolarHBondContact O-N 3.15Å; N429-F431 PolarHBondContact OD1-N 3.34Å; N429-F431 VanDerWaalsContact OD1-N 3.16Å; N429-E432 VanDerWaalsContact CG-CD 3.48Å; N429-E432 PolarHBondContact N-OE2 3.09Å; N429-E432 PolarHBondContact ND2-OE1 3.35Å; N429-E432 PolarHBondContact O-N 3.14Å; N429-E432 WeakPolarHBondContact OD1-CB 3.19Å; N429-E432 WeakPolarHBondContact OD1-CG 3.46Å; N429-E432 PolarHBondContact OD1-N 2.93Å; N429-S433 VanDerWaalsContact O-CB 3.26Å; N429-S433 WeakPolarHBondContact O-CB 2.98Å; N429-S433 PolarHBondContact O-N 3.01Å; N429-S433 PolarHBondContact O-OG 3.45Å; N429-E459 WeakPolarHBondContact CA-OE2 3.42Å | ||
| 430 | K | 78 | Confident | 78.3 | Confident | 62 Ų | 62 | 43.9 Ų | 43.9 | 27% | 0.27 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -53.5 | -48.6 | -176.8 | 174.4 | 176.7 | 174.2 | -171.9 | 0 | 112.1 | L434 E459 E463 | K430-L434 HydrophobicContact CG-CD1 4.07Å; K430-L434 WeakPolarHBondContact O-CD1 3.36Å; K430-L434 VanDerWaalsContact O-CG 3.27Å; K430-L434 WeakPolarHBondContact O-CG 3.4Å; K430-L434 PolarHBondContact O-N 3.38Å; K430-E459 HydrophobicContact CB-CG 4.36Å; K430-E459 VanDerWaalsContact N-CD 3.35Å; K430-E459 PolarHBondContact N-OE2 3.46Å; K430-E463 WeakPolarHBondContact CE-OE1 3.3Å; K430-E463 WeakPolarHBondContact CE-OE2 3.28Å; K430-E463 IonicContact NZ-OE1 3.97Å; K430-E463 PolarHBondContact NZ-OE1 2.98Å; K430-E463 IonicContact NZ-OE2 2.62Å |
| 431 | F | 77.2 | Confident | 78.3 | Confident | 115 Ų | 115 | 43.9 Ų | 43.9 | 50% | 0.504 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.4 | -43.6 | -177.6 | -73 | -81.2 | 0 | 0 | 0 | 112.2 | P396 N429 S433 L434 E435 | P396-F431 HydrophobicContact CG-CD1 4.42Å; P396-F431 HydrophobicContact CG-CD2 4.18Å; P396-F431 HydrophobicContact CG-CG 4.12Å; N429-F431 VanDerWaalsContact C-N 3.34Å; N429-F431 PolarHBondContact O-N 3.15Å; N429-F431 PolarHBondContact OD1-N 3.34Å; N429-F431 VanDerWaalsContact OD1-N 3.16Å; F431-S433 VanDerWaalsContact C-N 3.32Å; F431-S433 PolarHBondContact O-N 3.32Å; F431-L434 PolarHBondContact O-N 3.04Å; F431-E435 PolarHBondContact O-N 3.12Å |
| 432 | E | 81 | Confident | 78 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 175.4 | -72.2 | 169.2 | 176.1 | 0 | 0 | 111.3 | R394 I399 Y418 F419 L422 L428 N429 L436 | R394-E432 WeakPolarHBondContact CB-OE1 3.01Å; R394-E432 IonicContact CZ-OE1 2.99Å; R394-E432 IonicContact CZ-OE2 3.82Å; R394-E432 IonicContact NE-OE1 2.68Å; R394-E432 PolarHBondContact NE-OE1 3Å; R394-E432 IonicContact NE-OE2 3.82Å; R394-E432 PolarHBondContact NE-OE2 3.37Å; R394-E432 IonicContact NH2-OE1 2.68Å; R394-E432 IonicContact NH2-OE2 2.97Å; R394-E432 PolarHBondContact NH2-OE2 2.91Å; I399-E432 HydrophobicContact CD1-CB 4.38Å; I399-E432 HydrophobicContact CD1-CG 3.55Å; I399-E432 HydrophobicContact CG1-CG 4.31Å; Y418-E432 PolarHBondContact OH-OE1 3.32Å; F419-E432 HydrophobicContact CD1-CB 4.47Å; F419-E432 HydrophobicContact CE1-CB 3.74Å; F419-E432 HydrophobicContact CE1-CG 4.03Å; L422-E432 HydrophobicContact CD1-CG 4.47Å; L428-E432 WeakPolarHBondContact CA-OE2 3.42Å; L428-E432 HydrophobicContact CB-CB 3.99Å; L428-E432 HydrophobicContact CD2-CB 4.21Å; L428-E432 HydrophobicContact CG-CB 4.48Å; N429-E432 VanDerWaalsContact CG-CD 3.48Å; N429-E432 PolarHBondContact N-OE2 3.09Å; N429-E432 PolarHBondContact ND2-OE1 3.35Å; N429-E432 PolarHBondContact O-N 3.14Å; N429-E432 WeakPolarHBondContact OD1-CB 3.19Å; N429-E432 WeakPolarHBondContact OD1-CG 3.46Å; N429-E432 PolarHBondContact OD1-N 2.93Å; E432-L436 VanDerWaalsContact O-CB 3.29Å; E432-L436 WeakPolarHBondContact O-CB 3.02Å; E432-L436 PolarHBondContact O-N 3.34Å |
| 433 | S | 83 | Confident | 78 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 177.2 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | L428 N429 F431 L436 C437 E459 | L428-S433 WeakPolarHBondContact CB-OG 3.46Å; L428-S433 PolarHBondContact O-OG 2.84Å; N429-S433 VanDerWaalsContact O-CB 3.26Å; N429-S433 WeakPolarHBondContact O-CB 2.98Å; N429-S433 PolarHBondContact O-N 3.01Å; N429-S433 PolarHBondContact O-OG 3.45Å; F431-S433 VanDerWaalsContact C-N 3.32Å; F431-S433 PolarHBondContact O-N 3.32Å; S433-L436 PolarHBondContact O-N 3.28Å; S433-C437 WeakPolarHBondContact O-CB 2.75Å; S433-C437 PolarHBondContact O-N 3.03Å; S433-C437 PolarHBondContact O-SG 3.17Å; S433-E459 PolarHBondContact OG-N 3.2Å |
| 434 | L | 79.4 | Confident | 77.8 | Confident | 18 Ų | 18 | 58.1 Ų | 58.1 | 9% | 0.094 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 177.9 | -75.3 | 166.4 | 0 | 0 | 0 | 113 | K430 F431 L436 C437 R438 E463 L464 | K430-L434 HydrophobicContact CG-CD1 4.07Å; K430-L434 WeakPolarHBondContact O-CD1 3.36Å; K430-L434 VanDerWaalsContact O-CG 3.27Å; K430-L434 WeakPolarHBondContact O-CG 3.4Å; K430-L434 PolarHBondContact O-N 3.38Å; F431-L434 PolarHBondContact O-N 3.04Å; L434-L436 VanDerWaalsContact C-N 3.34Å; L434-L436 PolarHBondContact O-N 2.87Å; L434-C437 PolarHBondContact O-N 3.09Å; L434-R438 WeakPolarHBondContact O-CB 3.3Å; L434-R438 PolarHBondContact O-N 2.82Å; L434-E463 HydrophobicContact CD1-CB 4.16Å; L434-E463 WeakPolarHBondContact CD1-OE2 3.42Å; L434-E463 HydrophobicContact CD2-CB 3.92Å; L434-L464 HydrophobicContact CD2-CB 3.76Å; L434-L464 HydrophobicContact CD2-CD1 4.13Å |
| 435 | E | 79.3 | Confident | 77.9 | Confident | 56 Ų | 56 | 58.7 Ų | 58.7 | 26% | 0.262 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.8 | -29.6 | -178.3 | -73.4 | -60.1 | 131 | 0 | 0 | 112.8 | F419 F431 R438 P439 | F419-E435 HydrophobicContact CZ-CB 4.25Å; F431-E435 PolarHBondContact O-N 3.12Å; E435-R438 IonicContact OE1-NH1 2.89Å; E435-R438 PolarHBondContact OE1-NH1 2.88Å; E435-P439 WeakPolarHBondContact O-CD 3.49Å; E435-P439 WeakPolarHBondContact O-CG 3.47Å |
| 436 | L | 81.3 | Confident | 78.1 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.7 | -45 | 170.2 | 178.3 | 65.1 | 0 | 0 | 0 | 111.7 | F419 L423 L428 E432 S433 L434 P439 V440 W452 L458 | F419-L436 HydrophobicContact CB-CD1 4.14Å; F419-L436 HydrophobicContact CD1-CB 4.49Å; F419-L436 HydrophobicContact CD2-CB 4.32Å; F419-L436 HydrophobicContact CD2-CD1 3.95Å; F419-L436 HydrophobicContact CE2-CB 4.29Å; F419-L436 HydrophobicContact CG-CB 4.42Å; F419-L436 HydrophobicContact CG-CD1 4.13Å; F419-L436 HydrophobicContact CZ-CB 4.41Å; L423-L436 HydrophobicContact CD1-CD2 3.98Å; L423-L436 HydrophobicContact CD2-CD2 4.46Å; L428-L436 HydrophobicContact CD1-CB 4.44Å; L428-L436 HydrophobicContact CD1-CD2 3.5Å; E432-L436 VanDerWaalsContact O-CB 3.29Å; E432-L436 WeakPolarHBondContact O-CB 3.02Å; E432-L436 PolarHBondContact O-N 3.34Å; S433-L436 PolarHBondContact O-N 3.28Å; L434-L436 VanDerWaalsContact C-N 3.34Å; L434-L436 PolarHBondContact O-N 2.87Å; L436-P439 WeakPolarHBondContact O-CD 3.5Å; L436-P439 WeakPolarHBondContact O-CG 3.29Å; L436-V440 VanDerWaalsContact O-CG2 3.25Å; L436-V440 WeakPolarHBondContact O-CG2 3.45Å; L436-W452 HydrophobicContact CD1-CH2 4.21Å; L436-W452 HydrophobicContact CD1-CZ3 4.4Å; L436-W452 HydrophobicContact CD2-CE3 4.02Å; L436-W452 HydrophobicContact CD2-CH2 4.02Å; L436-W452 HydrophobicContact CD2-CZ3 3.72Å; L436-W452 HydrophobicContact CG-CH2 4.23Å; L436-W452 HydrophobicContact CG-CZ3 3.93Å; L436-L458 HydrophobicContact CD2-CD2 4.31Å |
| 437 | C | 80.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -75.7 | -33.8 | -169.9 | -65.2 | 0 | 0 | 0 | 0 | 113.1 | S433 L434 V440 L441 L449 L464 | S433-C437 WeakPolarHBondContact O-CB 2.75Å; S433-C437 PolarHBondContact O-N 3.03Å; S433-C437 PolarHBondContact O-SG 3.17Å; L434-C437 PolarHBondContact O-N 3.09Å; C437-V440 PolarHBondContact O-N 3.22Å; C437-L441 HydrophobicContact CB-CD1 4.48Å; C437-L441 WeakPolarHBondContact O-CB 3.45Å; C437-L441 WeakPolarHBondContact O-CG 3.38Å; C437-L441 PolarHBondContact O-N 3.15Å; C437-L449 HydrophobicContact CB-CD1 3.82Å; C437-L449 WeakPolarHBondContact SG-CD1 3.41Å; C437-L464 HydrophobicContact CB-CD1 3.51Å |
| 438 | R | 79.8 | Confident | 78.5 | Confident | 120 Ų | 120 | 62.8 Ų | 62.8 | 45% | 0.453 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -53 | -53.9 | 178.9 | -175.2 | -177.8 | -86.3 | 156.3 | -9.2 | 113.3 | L434 E435 Q442 L467 | L434-R438 WeakPolarHBondContact O-CB 3.3Å; L434-R438 PolarHBondContact O-N 2.82Å; E435-R438 IonicContact OE1-NH1 2.89Å; E435-R438 PolarHBondContact OE1-NH1 2.88Å; R438-Q442 WeakPolarHBondContact O-CG 3.47Å; R438-Q442 PolarHBondContact O-N 2.95Å; R438-L467 HydrophobicContact CB-CD2 4.41Å; R438-L467 HydrophobicContact CG-CD1 4.47Å |
| 439 | P | 76.2 | Confident | 78.5 | Confident | 53 Ų | 53 | 62.8 Ų | 62.8 | 34% | 0.344 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70 | -33.1 | 176.5 | 24.5 | -32.1 | 0 | 0 | 0 | 113.5 | E435 L436 L441 Q442 Q443 | E435-P439 WeakPolarHBondContact O-CD 3.49Å; E435-P439 WeakPolarHBondContact O-CG 3.47Å; L436-P439 WeakPolarHBondContact O-CD 3.5Å; L436-P439 WeakPolarHBondContact O-CG 3.29Å; P439-L441 VanDerWaalsContact C-N 3.34Å; P439-L441 PolarHBondContact O-N 2.74Å; P439-Q442 PolarHBondContact O-N 3.11Å; P439-Q443 WeakPolarHBondContact O-CG 3.34Å; P439-Q443 PolarHBondContact O-N 3.07Å |
| 440 | V | 79.4 | Confident | 78.4 | Confident | 16 Ų | 16 | 65.1 Ų | 65.1 | 10% | 0.097 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.6 | -40 | 178.9 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | L436 C437 Q443 G444 R445 L448 W452 | L436-V440 VanDerWaalsContact O-CG2 3.25Å; L436-V440 WeakPolarHBondContact O-CG2 3.45Å; C437-V440 PolarHBondContact O-N 3.22Å; V440-Q443 PolarHBondContact O-N 3.38Å; V440-G444 PolarHBondContact O-N 2.92Å; V440-R445 HydrophobicContact CG1-CB 4.16Å; V440-R445 PolarHBondContact O-N 3.2Å; V440-R445 VanDerWaalsContact O-N 3.13Å; V440-L448 HydrophobicContact CG1-CB 4.33Å; V440-W452 HydrophobicContact CG1-CZ3 4.29Å; V440-W452 HydrophobicContact CG2-CH2 4.07Å; V440-W452 HydrophobicContact CG2-CZ3 4.03Å |
| 441 | L | 77.2 | Confident | 78.5 | Confident | 30 Ų | 30 | 67.6 Ų | 67.6 | 16% | 0.157 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71 | -39.6 | 176.1 | -74.3 | 163.2 | 0 | 0 | 0 | 112.1 | C437 P439 Q443 G444 L449 L467 V468 A471 | C437-L441 HydrophobicContact CB-CD1 4.48Å; C437-L441 WeakPolarHBondContact O-CB 3.45Å; C437-L441 WeakPolarHBondContact O-CG 3.38Å; C437-L441 PolarHBondContact O-N 3.15Å; P439-L441 VanDerWaalsContact C-N 3.34Å; P439-L441 PolarHBondContact O-N 2.74Å; L441-Q443 PolarHBondContact O-N 3.41Å; L441-G444 PolarHBondContact O-N 2.96Å; L441-L449 HydrophobicContact CD2-CD2 4.33Å; L441-L467 HydrophobicContact CD1-CD2 3.35Å; L441-L467 HydrophobicContact CD1-CG 4.08Å; L441-V468 HydrophobicContact CD1-CG2 3.9Å; L441-A471 HydrophobicContact CD2-CB 4.29Å |
| 442 | Q | 73.9 | Confident | 78.8 | Confident | 159 Ų | 159 | 63.9 Ų | 63.9 | 74% | 0.743 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.3 | -32.1 | 173.8 | -74.8 | 177.8 | -7.1 | 0 | 0 | 113 | R438 P439 G444 | R438-Q442 WeakPolarHBondContact O-CG 3.47Å; R438-Q442 PolarHBondContact O-N 2.95Å; P439-Q442 PolarHBondContact O-N 3.11Å; Q442-G444 VanDerWaalsContact C-N 3.26Å; Q442-G444 PolarHBondContact O-N 3.12Å |
| 443 | Q | 77.1 | Confident | 78.7 | Confident | 127 Ų | 127 | 64.2 Ų | 64.2 | 59% | 0.593 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 0.7 | 174.6 | -67.9 | 177.2 | 15.9 | 0 | 0 | 113.7 | P439 V440 L441 R445 | P439-Q443 WeakPolarHBondContact O-CG 3.34Å; P439-Q443 PolarHBondContact O-N 3.07Å; V440-Q443 PolarHBondContact O-N 3.38Å; L441-Q443 PolarHBondContact O-N 3.41Å; Q443-R445 VanDerWaalsContact C-N 3.26Å; Q443-R445 HydrophobicContact CB-CG 4.36Å; Q443-R445 PolarHBondContact O-N 2.85Å |
| 444 | G | 72.7 | Confident | 78.6 | Confident | 60 Ų | 60 | 72.6 Ų | 72.6 | 62% | 0.619 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 12.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V440 L441 Q442 K446 | V440-G444 PolarHBondContact O-N 2.92Å; L441-G444 PolarHBondContact O-N 2.96Å; Q442-G444 VanDerWaalsContact C-N 3.26Å; Q442-G444 PolarHBondContact O-N 3.12Å; G444-K446 VanDerWaalsContact C-N 3.29Å; G444-K446 PolarHBondContact O-N 3.08Å; G444-K446 VanDerWaalsContact O-N 3.08Å |
| 445 | R | 77.3 | Confident | 78.6 | Confident | 151 Ų | 151 | 75.9 Ų | 75.9 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | trans | -88 | 52.3 | -174.9 | -65.8 | -174.3 | 178.5 | -174.1 | 0.9 | 113 | V440 Q443 Q447 L448 | V440-R445 HydrophobicContact CG1-CB 4.16Å; V440-R445 PolarHBondContact O-N 3.2Å; V440-R445 VanDerWaalsContact O-N 3.13Å; Q443-R445 VanDerWaalsContact C-N 3.26Å; Q443-R445 HydrophobicContact CB-CG 4.36Å; Q443-R445 PolarHBondContact O-N 2.85Å; R445-Q447 VanDerWaalsContact C-N 3.26Å; R445-Q447 PolarHBondContact O-N 3Å; R445-L448 HydrophobicContact CB-CD1 4.15Å; R445-L448 PolarHBondContact O-N 3.24Å | ||
| 446 | K | 76.7 | Confident | 78.5 | Confident | 86 Ų | 86 | 77.8 Ų | 77.8 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.2 | -27.1 | -173.9 | 69.3 | 175.6 | -169.8 | 167.3 | 0 | 115.3 | G444 L448 L449 E450 D472 | G444-K446 VanDerWaalsContact C-N 3.29Å; G444-K446 PolarHBondContact O-N 3.08Å; G444-K446 VanDerWaalsContact O-N 3.08Å; K446-L448 PolarHBondContact O-N 2.91Å; K446-L449 VanDerWaalsContact O-CB 3.28Å; K446-L449 WeakPolarHBondContact O-CB 3.28Å; K446-L449 PolarHBondContact O-N 3.44Å; K446-E450 PolarHBondContact O-N 2.76Å; K446-E450 VanDerWaalsContact O-N 3.13Å; K446-D472 IonicContact NZ-OD2 3.81Å; K446-D472 PolarHBondContact NZ-OD2 2.98Å |
| 447 | Q | 79 | Confident | 78.5 | Confident | 157 Ų | 157 | 79.4 Ų | 79.4 | 73% | 0.734 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.4 | -29.7 | 177.8 | -66.6 | 176.9 | 0.2 | 0 | 0 | 113.1 | R445 K451 | R445-Q447 VanDerWaalsContact C-N 3.26Å; R445-Q447 PolarHBondContact O-N 3Å; Q447-K451 PolarHBondContact O-N 3.33Å; Q447-K451 VanDerWaalsContact O-N 3.09Å |
| 448 | L | 78.7 | Confident | 78.5 | Confident | 66 Ų | 66 | 79.5 Ų | 79.5 | 35% | 0.346 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.7 | -39.6 | 174.5 | -71.5 | 173.7 | 0 | 0 | 0 | 111.1 | V440 R445 K446 K451 W452 | V440-L448 HydrophobicContact CG1-CB 4.33Å; R445-L448 HydrophobicContact CB-CD1 4.15Å; R445-L448 PolarHBondContact O-N 3.24Å; K446-L448 PolarHBondContact O-N 2.91Å; L448-K451 PolarHBondContact O-N 3.49Å; L448-W452 HydrophobicContact CB-CE3 4.45Å; L448-W452 HydrophobicContact CB-CH2 4.04Å; L448-W452 HydrophobicContact CB-CZ2 4.18Å; L448-W452 HydrophobicContact CB-CZ3 4.18Å; L448-W452 HydrophobicContact CD1-CH2 4.44Å; L448-W452 VanDerWaalsContact O-CD2 3.25Å; L448-W452 VanDerWaalsContact O-CG 3.29Å; L448-W452 PolarHBondContact O-N 2.89Å |
| 449 | L | 79.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 176.1 | -164.1 | 79.6 | 0 | 0 | 0 | 110.9 | C437 L441 K446 K451 W452 L453 L458 V468 L475 | C437-L449 HydrophobicContact CB-CD1 3.82Å; C437-L449 WeakPolarHBondContact SG-CD1 3.41Å; L441-L449 HydrophobicContact CD2-CD2 4.33Å; K446-L449 VanDerWaalsContact O-CB 3.28Å; K446-L449 WeakPolarHBondContact O-CB 3.28Å; K446-L449 PolarHBondContact O-N 3.44Å; L449-K451 VanDerWaalsContact C-N 3.32Å; L449-K451 PolarHBondContact O-N 3.31Å; L449-W452 PolarHBondContact O-N 3.33Å; L449-L453 VanDerWaalsContact O-CB 3.29Å; L449-L453 WeakPolarHBondContact O-CB 3.46Å; L449-L453 PolarHBondContact O-N 2.99Å; L449-L458 HydrophobicContact CD1-CD1 3.63Å; L449-L458 HydrophobicContact CG-CD1 4.3Å; L449-V468 HydrophobicContact CD2-CG1 4.31Å; L449-V468 HydrophobicContact CD2-CG2 3.51Å; L449-L475 HydrophobicContact CB-CD2 4.45Å; L449-L475 HydrophobicContact CD2-CD2 3.73Å; L449-L475 HydrophobicContact CD2-CG 4.29Å; L449-L475 HydrophobicContact CG-CD2 4.48Å |
| 450 | E | 78.3 | Confident | 78.8 | Confident | 81 Ų | 81 | 76 Ų | 76 | 38% | 0.379 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.3 | -44.3 | 175.9 | -73.5 | 170.6 | -173.3 | 0 | 0 | 112.1 | K446 L453 K454 L475 | K446-E450 PolarHBondContact O-N 2.76Å; K446-E450 VanDerWaalsContact O-N 3.13Å; E450-L453 PolarHBondContact O-N 3.19Å; E450-K454 WeakPolarHBondContact O-CB 3.29Å; E450-K454 PolarHBondContact O-N 3.27Å; E450-L475 HydrophobicContact CG-CD1 3.61Å; E450-L475 HydrophobicContact CG-CD2 3.96Å; E450-L475 HydrophobicContact CG-CG 4.45Å |
| 451 | K | 81.8 | Confident | 78.9 | Confident | 115 Ų | 115 | 75.6 Ų | 75.6 | 50% | 0.5 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.9 | -50.5 | 177.5 | -176.6 | -179.2 | 173.7 | -177.5 | 0 | 111.3 | Q447 L448 L449 L453 K454 E455 | Q447-K451 PolarHBondContact O-N 3.33Å; Q447-K451 VanDerWaalsContact O-N 3.09Å; L448-K451 PolarHBondContact O-N 3.49Å; L449-K451 VanDerWaalsContact C-N 3.32Å; L449-K451 PolarHBondContact O-N 3.31Å; K451-L453 VanDerWaalsContact C-N 3.3Å; K451-L453 PolarHBondContact O-N 2.92Å; K451-K454 PolarHBondContact O-N 3.02Å; K451-E455 WeakPolarHBondContact CE-OE1 3.37Å; K451-E455 IonicContact NZ-OE1 3.49Å; K451-E455 WeakPolarHBondContact O-CG 3.44Å; K451-E455 PolarHBondContact O-N 2.88Å |
| 452 | W | 83.4 | Confident | 79.1 | Confident | 36 Ų | 36 | 78.4 Ų | 78.4 | 14% | 0.136 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.6 | -33.6 | -179.3 | -61.8 | -35.5 | 0 | 0 | 0 | 112.8 | L423 L436 V440 L448 L449 E455 D456 K457 L458 | L423-W452 HydrophobicContact CD1-CD2 4.48Å; L423-W452 HydrophobicContact CD1-CZ2 4.03Å; L423-W452 HydrophobicContact CD2-CG 4.39Å; L436-W452 HydrophobicContact CD1-CH2 4.21Å; L436-W452 HydrophobicContact CD1-CZ3 4.4Å; L436-W452 HydrophobicContact CD2-CE3 4.02Å; L436-W452 HydrophobicContact CD2-CH2 4.02Å; L436-W452 HydrophobicContact CD2-CZ3 3.72Å; L436-W452 HydrophobicContact CG-CH2 4.23Å; L436-W452 HydrophobicContact CG-CZ3 3.93Å; V440-W452 HydrophobicContact CG1-CZ3 4.29Å; V440-W452 HydrophobicContact CG2-CH2 4.07Å; V440-W452 HydrophobicContact CG2-CZ3 4.03Å; L448-W452 HydrophobicContact CB-CE3 4.45Å; L448-W452 HydrophobicContact CB-CH2 4.04Å; L448-W452 HydrophobicContact CB-CZ2 4.18Å; L448-W452 HydrophobicContact CB-CZ3 4.18Å; L448-W452 HydrophobicContact CD1-CH2 4.44Å; L448-W452 VanDerWaalsContact O-CD2 3.25Å; L448-W452 VanDerWaalsContact O-CG 3.29Å; L448-W452 PolarHBondContact O-N 2.89Å; L449-W452 PolarHBondContact O-N 3.33Å; W452-E455 PolarHBondContact O-N 3Å; W452-D456 PolarHBondContact O-N 3.19Å; W452-K457 HydrophobicContact CB-CB 4.32Å; W452-K457 PolarHBondContact O-N 3.47Å; W452-L458 HydrophobicContact CB-CD1 3.87Å; W452-L458 HydrophobicContact CB-CD2 4.27Å; W452-L458 HydrophobicContact CB-CG 3.83Å |
| 453 | L | 78.9 | Confident | 79.5 | Confident | 7 Ų | 7 | 75.5 Ų | 75.5 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.4 | -32.8 | 175.2 | -152.4 | 95.2 | 0 | 0 | 0 | 112.4 | L449 E450 K451 D456 L458 C460 L475 S478 V479 R482 | L449-L453 VanDerWaalsContact O-CB 3.29Å; L449-L453 WeakPolarHBondContact O-CB 3.46Å; L449-L453 PolarHBondContact O-N 2.99Å; E450-L453 PolarHBondContact O-N 3.19Å; K451-L453 VanDerWaalsContact C-N 3.3Å; K451-L453 PolarHBondContact O-N 2.92Å; L453-D456 PolarHBondContact O-N 3.29Å; L453-L458 HydrophobicContact CD1-CD1 4.35Å; L453-C460 VanDerWaalsContact CD1-SG 3.59Å; L453-L475 HydrophobicContact CD2-CD1 4.38Å; L453-S478 WeakPolarHBondContact CD2-OG 3.49Å; L453-V479 HydrophobicContact CD1-CG2 3.86Å; L453-V479 HydrophobicContact CD2-CG2 4.49Å; L453-R482 PolarHBondContact O-NH2 2.68Å |
| 454 | K | 79.9 | Confident | 79.7 | Confident | 177 Ų | 177 | 69.4 Ų | 69.4 | 77% | 0.77 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -76.4 | -31.8 | 176.2 | -170.8 | 178.3 | 179.2 | -178.1 | 0 | 112.5 | E450 K451 D456 | E450-K454 WeakPolarHBondContact O-CB 3.29Å; E450-K454 PolarHBondContact O-N 3.27Å; K451-K454 PolarHBondContact O-N 3.02Å; K454-D456 PolarHBondContact O-N 2.72Å |
| 455 | E | 80.2 | Confident | 80.2 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 40% | 0.402 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 6.8 | 173.4 | -66.9 | 177.2 | -172.6 | 0 | 0 | 112.6 | K451 W452 K457 | K451-E455 WeakPolarHBondContact CE-OE1 3.37Å; K451-E455 IonicContact NZ-OE1 3.49Å; K451-E455 WeakPolarHBondContact O-CG 3.44Å; K451-E455 PolarHBondContact O-N 2.88Å; W452-E455 PolarHBondContact O-N 3Å; E455-K457 HydrophobicContact CB-CD 3.99Å; E455-K457 HydrophobicContact CB-CG 3.82Å; E455-K457 PolarHBondContact O-N 3.44Å; E455-K457 VanDerWaalsContact O-N 3.14Å; E455-K457 WeakPolarHBondContact OE2-CD 3.48Å; E455-K457 WeakPolarHBondContact OE2-CE 3.43Å; E455-K457 IonicContact OE2-NZ 3.36Å; E455-K457 PolarHBondContact OE2-NZ 3.42Å |
| 456 | D | 77.1 | Confident | 80.5 | Confident | 97 Ų | 97 | 62.3 Ų | 62.3 | 52% | 0.519 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 32.6 | -175.6 | -67.2 | -37.8 | 0 | 0 | 0 | 113.9 | Q427 W452 L453 K454 R482 | Q427-D456 VanDerWaalsContact CG-O 3.29Å; Q427-D456 WeakPolarHBondContact CG-O 3.34Å; W452-D456 PolarHBondContact O-N 3.19Å; L453-D456 PolarHBondContact O-N 3.29Å; K454-D456 PolarHBondContact O-N 2.72Å; D456-R482 IonicContact OD1-NE 3.39Å; D456-R482 PolarHBondContact OD1-NE 3.13Å; D456-R482 IonicContact OD1-NH2 3.57Å |
| 457 | K | 80.2 | Confident | 80.6 | Confident | 43 Ų | 43 | 60.3 Ų | 60.3 | 19% | 0.187 | 29% | 0.286 | C | S | . | . | trans | -85 | -9.9 | -177.4 | -69.3 | -174.2 | 172.7 | 178.9 | 0 | 114.4 | L423 L428 W452 E455 | L423-K457 HydrophobicContact CB-CD 4.3Å; L423-K457 HydrophobicContact CD2-CB 3.67Å; L423-K457 HydrophobicContact CD2-CD 3.99Å; L423-K457 HydrophobicContact CD2-CG 4.39Å; L423-K457 VanDerWaalsContact O-CD 3.28Å; L423-K457 WeakPolarHBondContact O-CD 3.48Å; L423-K457 WeakPolarHBondContact O-CE 3.41Å; L423-K457 PolarHBondContact O-NZ 3.23Å; L428-K457 WeakPolarHBondContact CB-O 3.36Å; L428-K457 PolarHBondContact N-O 2.94Å; W452-K457 HydrophobicContact CB-CB 4.32Å; W452-K457 PolarHBondContact O-N 3.47Å; E455-K457 HydrophobicContact CB-CD 3.99Å; E455-K457 HydrophobicContact CB-CG 3.82Å; E455-K457 PolarHBondContact O-N 3.44Å; E455-K457 VanDerWaalsContact O-N 3.14Å; E455-K457 WeakPolarHBondContact OE2-CD 3.48Å; E455-K457 WeakPolarHBondContact OE2-CE 3.43Å; E455-K457 IonicContact OE2-NZ 3.36Å; E455-K457 PolarHBondContact OE2-NZ 3.42Å | ||
| 458 | L | 80.8 | Confident | 80.9 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -112.4 | 135.9 | -179.6 | -57.3 | 176.5 | 0 | 0 | 0 | 110.3 | Q427 L428 L436 L449 W452 L453 C460 | Q427-L458 PolarHBondContact NE2-O 3.32Å; L428-L458 HydrophobicContact CD1-CD2 3.87Å; L436-L458 HydrophobicContact CD2-CD2 4.31Å; L449-L458 HydrophobicContact CD1-CD1 3.63Å; L449-L458 HydrophobicContact CG-CD1 4.3Å; W452-L458 HydrophobicContact CB-CD1 3.87Å; W452-L458 HydrophobicContact CB-CD2 4.27Å; W452-L458 HydrophobicContact CB-CG 3.83Å; L453-L458 HydrophobicContact CD1-CD1 4.35Å; L458-C460 PolarHBondContact O-N 3.13Å |
| 459 | E | 80.8 | Confident | 80.9 | Confident | 82 Ų | 82 | 52.1 Ų | 52.1 | 38% | 0.383 | 25% | 0.245 | S | C | . | . | trans | -78.9 | 111.5 | 165.2 | -175.8 | 177.5 | 172.1 | 0 | 0 | 108.6 | L428 N429 K430 S433 | L428-E459 WeakPolarHBondContact O-CB 3.5Å; L428-E459 PolarHBondContact O-N 2.87Å; N429-E459 WeakPolarHBondContact CA-OE2 3.42Å; K430-E459 HydrophobicContact CB-CG 4.36Å; K430-E459 VanDerWaalsContact N-CD 3.35Å; K430-E459 PolarHBondContact N-OE2 3.46Å; S433-E459 PolarHBondContact OG-N 3.2Å | ||
| 460 | C | 80.9 | Confident | 80.8 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 11% | 0.108 | 29% | 0.285 | C | S | . | . | trans | -76.2 | 132.3 | -177.7 | -63.5 | 0 | 0 | 0 | 0 | 110.1 | L453 L458 V479 R482 A483 | L453-C460 VanDerWaalsContact CD1-SG 3.59Å; L458-C460 PolarHBondContact O-N 3.13Å; C460-V479 HydrophobicContact CB-CG1 4.03Å; C460-V479 WeakPolarHBondContact CB-O 3.19Å; C460-R482 HydrophobicContact CB-CB 3.48Å; C460-R482 VanDerWaalsContact CB-CB 3.48Å; C460-R482 WeakPolarHBondContact SG-CB 3.49Å; C460-R482 WeakPolarHBondContact SG-CD 3.43Å; C460-A483 VanDerWaalsContact C-CB 3.45Å; C460-A483 HydrophobicContact CB-CB 4.03Å; C460-A483 WeakPolarHBondContact O-CA 3.36Å; C460-A483 VanDerWaalsContact O-CB 3.28Å; C460-A483 WeakPolarHBondContact O-CB 3.27Å | ||
| 461 | S | 82.3 | Confident | 80.7 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 6% | 0.063 | 29% | 0.291 | C | S | . | . | trans | -136.8 | 164.2 | 178.5 | 64.3 | 0 | 0 | 0 | 0 | 112.1 | E463 L464 G465 | S461-E463 PolarHBondContact O-N 3.46Å; S461-L464 PolarHBondContact O-N 3.08Å; S461-L464 WeakPolarHBondContact OG-CB 3.39Å; S461-L464 PolarHBondContact OG-N 3.06Å; S461-G465 PolarHBondContact O-N 3.48Å | ||
| 462 | E | 82 | Confident | 80.6 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 42% | 0.416 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -55.2 | -49.8 | 176 | -172.4 | 169.7 | -174.7 | 0 | 0 | 112.1 | L464 G465 D466 V485 | E462-L464 VanDerWaalsContact C-N 3.26Å; E462-L464 PolarHBondContact O-N 3.44Å; E462-G465 WeakPolarHBondContact O-CA 3.47Å; E462-G465 PolarHBondContact O-N 3.45Å; E462-D466 PolarHBondContact O-N 2.92Å; E462-V485 HydrophobicContact CB-CG1 4.38Å; E462-V485 HydrophobicContact CB-CG2 3.71Å; E462-V485 HydrophobicContact CG-CG1 3.96Å; E462-V485 HydrophobicContact CG-CG2 4.2Å |
| 463 | E | 82.6 | Confident | 80.4 | Confident | 97 Ų | 97 | 56.5 Ų | 56.5 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.8 | -37.9 | 178.9 | -67.9 | 154.7 | -145 | 0 | 0 | 112.1 | K430 L434 S461 L467 | K430-E463 WeakPolarHBondContact CE-OE1 3.3Å; K430-E463 WeakPolarHBondContact CE-OE2 3.28Å; K430-E463 IonicContact NZ-OE1 3.97Å; K430-E463 PolarHBondContact NZ-OE1 2.98Å; K430-E463 IonicContact NZ-OE2 2.62Å; L434-E463 HydrophobicContact CD1-CB 4.16Å; L434-E463 WeakPolarHBondContact CD1-OE2 3.42Å; L434-E463 HydrophobicContact CD2-CB 3.92Å; S461-E463 PolarHBondContact O-N 3.46Å; E463-L467 WeakPolarHBondContact O-CB 3.49Å; E463-L467 PolarHBondContact O-N 2.83Å; E463-L467 VanDerWaalsContact O-N 3.08Å |
| 464 | L | 81.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.2 | -41.6 | 176.9 | -176.6 | 67.2 | 0 | 0 | 0 | 110.2 | L434 C437 S461 E462 L467 V468 V479 | L434-L464 HydrophobicContact CD2-CB 3.76Å; L434-L464 HydrophobicContact CD2-CD1 4.13Å; C437-L464 HydrophobicContact CB-CD1 3.51Å; S461-L464 PolarHBondContact O-N 3.08Å; S461-L464 WeakPolarHBondContact OG-CB 3.39Å; S461-L464 PolarHBondContact OG-N 3.06Å; E462-L464 VanDerWaalsContact C-N 3.26Å; E462-L464 PolarHBondContact O-N 3.44Å; L464-L467 PolarHBondContact O-N 3.17Å; L464-V468 WeakPolarHBondContact O-CB 2.78Å; L464-V468 WeakPolarHBondContact O-CG2 3.42Å; L464-V468 PolarHBondContact O-N 3.02Å; L464-V479 HydrophobicContact CB-CG1 4Å; L464-V479 HydrophobicContact CD2-CG1 3.92Å; L464-V479 HydrophobicContact CG-CG1 3.93Å |
| 465 | G | 83.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S461 E462 L467 V468 K469 A476 Y480 | S461-G465 PolarHBondContact O-N 3.48Å; E462-G465 WeakPolarHBondContact O-CA 3.47Å; E462-G465 PolarHBondContact O-N 3.45Å; G465-L467 PolarHBondContact O-N 3.38Å; G465-V468 CarbonylContact O-C 3.52Å; G465-V468 PolarHBondContact O-N 2.94Å; G465-K469 WeakPolarHBondContact O-CB 3.35Å; G465-K469 PolarHBondContact O-N 3.48Å; G465-A476 WeakPolarHBondContact O-CB 3.22Å; G465-Y480 VanDerWaalsContact C-CE1 3.48Å; G465-Y480 VanDerWaalsContact C-OH 3.27Å; G465-Y480 VanDerWaalsContact CA-CE1 3.45Å; G465-Y480 PolarHBondContact O-OH 3.07Å |
| 466 | D | 83.6 | Confident | 80.4 | Confident | 61 Ų | 61 | 48.1 Ų | 48.1 | 33% | 0.326 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62 | -42 | 176.9 | -77.7 | -15.3 | 0 | 0 | 0 | 112.1 | E462 V468 K469 Y480 K488 | E462-D466 PolarHBondContact O-N 2.92Å; D466-V468 VanDerWaalsContact C-N 3.35Å; D466-K469 PolarHBondContact O-N 3.35Å; D466-Y480 VanDerWaalsContact CA-OH 3.24Å; D466-Y480 WeakPolarHBondContact CA-OH 3.25Å; D466-Y480 PolarHBondContact N-OH 3.24Å; D466-Y480 PolarHBondContact OD1-OH 3.49Å; D466-K488 IonicContact OD1-NZ 3.87Å |
| 467 | L | 79.3 | Confident | 80.5 | Confident | 45 Ų | 45 | 44.2 Ų | 44.2 | 24% | 0.236 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -42 | 175.1 | -170.9 | 100.3 | 0 | 0 | 0 | 111.4 | R438 L441 E463 L464 G465 | R438-L467 HydrophobicContact CB-CD2 4.41Å; R438-L467 HydrophobicContact CG-CD1 4.47Å; L441-L467 HydrophobicContact CD1-CD2 3.35Å; L441-L467 HydrophobicContact CD1-CG 4.08Å; E463-L467 WeakPolarHBondContact O-CB 3.49Å; E463-L467 PolarHBondContact O-N 2.83Å; E463-L467 VanDerWaalsContact O-N 3.08Å; L464-L467 PolarHBondContact O-N 3.17Å; G465-L467 PolarHBondContact O-N 3.38Å |
| 468 | V | 83.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.6 | -33.4 | 178.7 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | L441 L449 L464 G465 D466 Q470 A471 D472 L475 A476 V479 | L441-V468 HydrophobicContact CD1-CG2 3.9Å; L449-V468 HydrophobicContact CD2-CG1 4.31Å; L449-V468 HydrophobicContact CD2-CG2 3.51Å; L464-V468 WeakPolarHBondContact O-CB 2.78Å; L464-V468 WeakPolarHBondContact O-CG2 3.42Å; L464-V468 PolarHBondContact O-N 3.02Å; G465-V468 CarbonylContact O-C 3.52Å; G465-V468 PolarHBondContact O-N 2.94Å; D466-V468 VanDerWaalsContact C-N 3.35Å; V468-Q470 PolarHBondContact O-N 2.99Å; V468-A471 PolarHBondContact O-N 2.6Å; V468-D472 PolarHBondContact O-N 3.48Å; V468-L475 HydrophobicContact CG1-CB 3.69Å; V468-L475 HydrophobicContact CG1-CD2 4Å; V468-L475 HydrophobicContact CG1-CG 3.75Å; V468-A476 HydrophobicContact CB-CB 4.24Å; V468-A476 HydrophobicContact CG1-CB 4.07Å; V468-V479 HydrophobicContact CG2-CG2 4.35Å |
| 469 | K | 79.5 | Confident | 80.5 | Confident | 51 Ų | 51 | 43.5 Ų | 43.5 | 22% | 0.222 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.6 | -31.3 | -177.8 | -171.2 | 173 | -179.7 | 168.8 | 0 | 112.4 | G465 D466 A471 A476 Y480 E495 | G465-K469 WeakPolarHBondContact O-CB 3.35Å; G465-K469 PolarHBondContact O-N 3.48Å; D466-K469 PolarHBondContact O-N 3.35Å; K469-A471 PolarHBondContact O-N 3.34Å; K469-A476 VanDerWaalsContact CA-CB 3.45Å; K469-A476 HydrophobicContact CB-CB 3.65Å; K469-A476 HydrophobicContact CG-CB 4.25Å; K469-Y480 HydrophobicContact CD-CE2 4.41Å; K469-E495 IonicContact NZ-OE1 2.82Å; K469-E495 PolarHBondContact NZ-OE1 3.36Å; K469-E495 IonicContact NZ-OE2 3.78Å; K469-E495 PolarHBondContact NZ-OE2 3.45Å |
| 470 | Q | 78.3 | Confident | 80.7 | Confident | 177 Ų | 177 | 39.6 Ų | 39.6 | 83% | 0.827 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -26.3 | 175 | -62.1 | -177.3 | 14.2 | 0 | 0 | 113.2 | V468 | V468-Q470 PolarHBondContact O-N 2.99Š|
| 471 | A | 76.3 | Confident | 80.5 | Confident | 61 Ų | 61 | 42.1 Ų | 42.1 | 50% | 0.504 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -41.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L441 V468 K469 | L441-A471 HydrophobicContact CD2-CB 4.29Å; V468-A471 PolarHBondContact O-N 2.6Å; K469-A471 PolarHBondContact O-N 3.34Å |
| 472 | D | 79.6 | Confident | 80.3 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | trans | -154.7 | 107.3 | -175.2 | -165.1 | -50.2 | 0 | 0 | 0 | 111.2 | K446 V468 T474 L475 A476 | K446-D472 IonicContact NZ-OD2 3.81Å; K446-D472 PolarHBondContact NZ-OD2 2.98Å; V468-D472 PolarHBondContact O-N 3.48Å; D472-T474 VanDerWaalsContact C-N 3.29Å; D472-T474 PolarHBondContact O-N 3.06Å; D472-T474 WeakPolarHBondContact OD1-CB 3.45Å; D472-T474 PolarHBondContact OD1-N 3.22Å; D472-T474 PolarHBondContact OD1-OG1 2.97Å; D472-L475 HydrophobicContact CB-CB 3.84Å; D472-L475 PolarHBondContact O-N 2.96Å; D472-L475 PolarHBondContact OD1-N 3.06Å; D472-A476 WeakPolarHBondContact O-CB 3.46Å; D472-A476 PolarHBondContact O-N 2.63Å | ||
| 473 | P | 77.6 | Confident | 80.1 | Confident | 63 Ų | 63 | 44 Ų | 44 | 41% | 0.409 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.8 | -34.1 | 179.8 | -22.6 | 33.2 | 0 | 0 | 0 | 113.3 | A476 L477 | P473-A476 PolarHBondContact O-N 3.07Å; P473-L477 PolarHBondContact O-N 3.42Å |
| 474 | T | 78.8 | Confident | 79.9 | Confident | 81 Ų | 81 | 43.6 Ų | 43.6 | 50% | 0.497 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -71.7 | -40.1 | 179.4 | 20.2 | 0 | 0 | 0 | 0 | 111.7 | D472 L477 S478 | D472-T474 VanDerWaalsContact C-N 3.29Å; D472-T474 PolarHBondContact O-N 3.06Å; D472-T474 WeakPolarHBondContact OD1-CB 3.45Å; D472-T474 PolarHBondContact OD1-N 3.22Å; D472-T474 PolarHBondContact OD1-OG1 2.97Å; T474-L477 WeakPolarHBondContact O-CB 3.49Å; T474-L477 PolarHBondContact O-N 2.98Å; T474-S478 PolarHBondContact O-N 3.48Å |
| 475 | L | 78.2 | Confident | 79.9 | Confident | 14 Ų | 14 | 44.5 Ų | 44.5 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.3 | -39.7 | 173.8 | -165.6 | 57 | 0 | 0 | 0 | 110.6 | L449 E450 L453 V468 D472 L477 S478 V479 | L449-L475 HydrophobicContact CB-CD2 4.45Å; L449-L475 HydrophobicContact CD2-CD2 3.73Å; L449-L475 HydrophobicContact CD2-CG 4.29Å; L449-L475 HydrophobicContact CG-CD2 4.48Å; E450-L475 HydrophobicContact CG-CD1 3.61Å; E450-L475 HydrophobicContact CG-CD2 3.96Å; E450-L475 HydrophobicContact CG-CG 4.45Å; L453-L475 HydrophobicContact CD2-CD1 4.38Å; V468-L475 HydrophobicContact CG1-CB 3.69Å; V468-L475 HydrophobicContact CG1-CD2 4Å; V468-L475 HydrophobicContact CG1-CG 3.75Å; D472-L475 HydrophobicContact CB-CB 3.84Å; D472-L475 PolarHBondContact O-N 2.96Å; D472-L475 PolarHBondContact OD1-N 3.06Å; L475-L477 VanDerWaalsContact C-N 3.34Å; L475-L477 PolarHBondContact O-N 3.07Å; L475-S478 WeakPolarHBondContact O-CB 3.17Å; L475-S478 PolarHBondContact O-N 2.85Å; L475-S478 VanDerWaalsContact O-N 3.07Å; L475-S478 PolarHBondContact O-OG 3.31Å; L475-V479 WeakPolarHBondContact O-CG2 3.42Å; L475-V479 PolarHBondContact O-N 3.1Å; L475-V479 VanDerWaalsContact O-N 3.1Å |
| 476 | A | 82.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -42.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G465 V468 K469 D472 P473 S478 V479 Y480 | G465-A476 WeakPolarHBondContact O-CB 3.22Å; V468-A476 HydrophobicContact CB-CB 4.24Å; V468-A476 HydrophobicContact CG1-CB 4.07Å; K469-A476 VanDerWaalsContact CA-CB 3.45Å; K469-A476 HydrophobicContact CB-CB 3.65Å; K469-A476 HydrophobicContact CG-CB 4.25Å; D472-A476 WeakPolarHBondContact O-CB 3.46Å; D472-A476 PolarHBondContact O-N 2.63Å; P473-A476 PolarHBondContact O-N 3.07Å; A476-S478 VanDerWaalsContact C-N 3.26Å; A476-S478 PolarHBondContact O-N 3.43Å; A476-V479 WeakPolarHBondContact O-CB 3.31Å; A476-V479 PolarHBondContact O-N 2.94Å; A476-Y480 HydrophobicContact CB-CD2 4.32Å; A476-Y480 HydrophobicContact CB-CE2 3.88Å; A476-Y480 WeakPolarHBondContact O-CD2 3.46Å; A476-Y480 PolarHBondContact O-N 3.39Å |
| 477 | L | 78.8 | Confident | 79.2 | Confident | 15 Ų | 15 | 45.5 Ų | 45.5 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -53.1 | -45.9 | 172.1 | 176.2 | 69 | 0 | 0 | 0 | 111.2 | P473 T474 L475 V479 Y480 L481 V489 C492 F493 | P473-L477 PolarHBondContact O-N 3.42Å; T474-L477 WeakPolarHBondContact O-CB 3.49Å; T474-L477 PolarHBondContact O-N 2.98Å; L475-L477 VanDerWaalsContact C-N 3.34Å; L475-L477 PolarHBondContact O-N 3.07Å; L477-V479 VanDerWaalsContact C-N 3.29Å; L477-V479 PolarHBondContact O-N 3.38Å; L477-Y480 PolarHBondContact O-N 3.21Å; L477-L481 WeakPolarHBondContact O-CB 3.46Å; L477-L481 PolarHBondContact O-N 3.09Å; L477-V489 HydrophobicContact CD1-CG1 3.96Å; L477-C492 HydrophobicContact CB-CB 4.18Å; L477-C492 HydrophobicContact CD1-CB 3.71Å; L477-C492 HydrophobicContact CG-CB 4.49Å; L477-F493 HydrophobicContact CD1-CD1 3.81Å; L477-F493 HydrophobicContact CD1-CD2 4.26Å; L477-F493 HydrophobicContact CD1-CE1 3.81Å; L477-F493 HydrophobicContact CD1-CE2 4.26Å; L477-F493 HydrophobicContact CD1-CG 4.05Å; L477-F493 HydrophobicContact CD1-CZ 4.04Å; L477-F493 HydrophobicContact CD2-CD1 3.78Å; L477-F493 HydrophobicContact CD2-CE1 3.63Å; L477-F493 HydrophobicContact CD2-CZ 4.48Å; L477-F493 HydrophobicContact CG-CD1 4.41Å; L477-F493 HydrophobicContact CG-CE1 4.17Å |
| 478 | S | 79.4 | Confident | 79.2 | Confident | 30 Ų | 30 | 46.1 Ų | 46.1 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.9 | -29.3 | 179.7 | 78.2 | 0 | 0 | 0 | 0 | 113.7 | L453 T474 L475 A476 R482 | L453-S478 WeakPolarHBondContact CD2-OG 3.49Å; T474-S478 PolarHBondContact O-N 3.48Å; L475-S478 WeakPolarHBondContact O-CB 3.17Å; L475-S478 PolarHBondContact O-N 2.85Å; L475-S478 VanDerWaalsContact O-N 3.07Å; L475-S478 PolarHBondContact O-OG 3.31Å; A476-S478 VanDerWaalsContact C-N 3.26Å; A476-S478 PolarHBondContact O-N 3.43Å; S478-R482 WeakPolarHBondContact O-CG 3.41Å; S478-R482 PolarHBondContact O-N 3.26Å; S478-R482 PolarHBondContact O-NH1 3.4Å |
| 479 | V | 82.1 | Confident | 79 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.1 | -51.7 | 172.9 | 178.9 | 0 | 0 | 0 | 0 | 110 | L453 C460 L464 V468 L475 A476 L477 L481 R482 A483 | L453-V479 HydrophobicContact CD1-CG2 3.86Å; L453-V479 HydrophobicContact CD2-CG2 4.49Å; C460-V479 HydrophobicContact CB-CG1 4.03Å; C460-V479 WeakPolarHBondContact CB-O 3.19Å; L464-V479 HydrophobicContact CB-CG1 4Å; L464-V479 HydrophobicContact CD2-CG1 3.92Å; L464-V479 HydrophobicContact CG-CG1 3.93Å; V468-V479 HydrophobicContact CG2-CG2 4.35Å; L475-V479 WeakPolarHBondContact O-CG2 3.42Å; L475-V479 PolarHBondContact O-N 3.1Å; L475-V479 VanDerWaalsContact O-N 3.1Å; A476-V479 WeakPolarHBondContact O-CB 3.31Å; A476-V479 PolarHBondContact O-N 2.94Å; L477-V479 VanDerWaalsContact C-N 3.29Å; L477-V479 PolarHBondContact O-N 3.38Å; V479-L481 PolarHBondContact O-N 3.23Å; V479-R482 PolarHBondContact O-N 3.21Å; V479-A483 VanDerWaalsContact O-CB 3.25Å; V479-A483 WeakPolarHBondContact O-CB 3.46Å; V479-A483 PolarHBondContact O-N 3.38Å |
| 480 | Y | 84.6 | Confident | 78.9 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.5 | -33.9 | 179.9 | -62.7 | -56.7 | 0 | 0 | 0 | 112.9 | G465 D466 K469 A476 L477 A483 N484 V485 K488 V489 | G465-Y480 VanDerWaalsContact C-CE1 3.48Å; G465-Y480 VanDerWaalsContact C-OH 3.27Å; G465-Y480 VanDerWaalsContact CA-CE1 3.45Å; G465-Y480 PolarHBondContact O-OH 3.07Å; D466-Y480 VanDerWaalsContact CA-OH 3.24Å; D466-Y480 WeakPolarHBondContact CA-OH 3.25Å; D466-Y480 PolarHBondContact N-OH 3.24Å; D466-Y480 PolarHBondContact OD1-OH 3.49Å; K469-Y480 HydrophobicContact CD-CE2 4.41Å; A476-Y480 HydrophobicContact CB-CD2 4.32Å; A476-Y480 HydrophobicContact CB-CE2 3.88Å; A476-Y480 WeakPolarHBondContact O-CD2 3.46Å; A476-Y480 PolarHBondContact O-N 3.39Å; L477-Y480 PolarHBondContact O-N 3.21Å; Y480-A483 CarbonylContact O-C 3.46Å; Y480-A483 PolarHBondContact O-N 3.39Å; Y480-N484 PolarHBondContact O-N 2.98Å; Y480-V485 HydrophobicContact CD1-CB 4.49Å; Y480-V485 PolarHBondContact O-N 3.15Å; Y480-V485 VanDerWaalsContact O-N 3.15Å; Y480-K488 HydrophobicContact CD1-CB 4.02Å; Y480-K488 HydrophobicContact CD2-CB 4.15Å; Y480-K488 HydrophobicContact CE1-CB 4.04Å; Y480-K488 HydrophobicContact CE1-CG 4.25Å; Y480-K488 HydrophobicContact CE2-CB 4.2Å; Y480-K488 HydrophobicContact CG-CB 4.06Å; Y480-V489 VanDerWaalsContact C-CG2 3.41Å |
| 481 | L | 78.3 | Confident | 78.8 | Confident | 70 Ų | 70 | 39.9 Ų | 39.9 | 37% | 0.366 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.6 | -38.3 | 179.5 | -156.6 | 148.9 | 0 | 0 | 0 | 111.6 | L477 V479 V489 F493 Y505 | L477-L481 WeakPolarHBondContact O-CB 3.46Å; L477-L481 PolarHBondContact O-N 3.09Å; V479-L481 PolarHBondContact O-N 3.23Å; L481-V489 HydrophobicContact CB-CG2 4.37Å; L481-V489 HydrophobicContact CD1-CG1 4.37Å; L481-F493 HydrophobicContact CD1-CE2 4.14Å; L481-F493 HydrophobicContact CD1-CZ 3.58Å; L481-Y505 HydrophobicContact CD1-CD2 4.2Å; L481-Y505 HydrophobicContact CD2-CD2 4.39Å; L481-Y505 HydrophobicContact CD2-CE2 4.39Å; L481-Y505 HydrophobicContact CG-CD2 3.84Å; L481-Y505 HydrophobicContact CG-CE2 3.75Å |
| 482 | R | 77.9 | Confident | 78.8 | Confident | 115 Ų | 115 | 37 Ų | 37 | 43% | 0.434 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -74.8 | -34.2 | 171.9 | -74.2 | -179.4 | 174.2 | 85.3 | -8.5 | 112.6 | L453 D456 C460 S478 V479 N484 | L453-R482 PolarHBondContact O-NH2 2.68Å; D456-R482 IonicContact OD1-NE 3.39Å; D456-R482 PolarHBondContact OD1-NE 3.13Å; D456-R482 IonicContact OD1-NH2 3.57Å; C460-R482 HydrophobicContact CB-CB 3.48Å; C460-R482 VanDerWaalsContact CB-CB 3.48Å; C460-R482 WeakPolarHBondContact SG-CB 3.49Å; C460-R482 WeakPolarHBondContact SG-CD 3.43Å; S478-R482 WeakPolarHBondContact O-CG 3.41Å; S478-R482 PolarHBondContact O-N 3.26Å; S478-R482 PolarHBondContact O-NH1 3.4Å; V479-R482 PolarHBondContact O-N 3.21Å; R482-N484 PolarHBondContact O-N 2.8Å |
| 483 | A | 77 | Confident | 78.7 | Confident | 23 Ų | 23 | 36.2 Ų | 36.2 | 19% | 0.19 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -9.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | C460 V479 Y480 V485 | C460-A483 VanDerWaalsContact C-CB 3.45Å; C460-A483 HydrophobicContact CB-CB 4.03Å; C460-A483 WeakPolarHBondContact O-CA 3.36Å; C460-A483 VanDerWaalsContact O-CB 3.28Å; C460-A483 WeakPolarHBondContact O-CB 3.27Å; V479-A483 VanDerWaalsContact O-CB 3.25Å; V479-A483 WeakPolarHBondContact O-CB 3.46Å; V479-A483 PolarHBondContact O-N 3.38Å; Y480-A483 CarbonylContact O-C 3.46Å; Y480-A483 PolarHBondContact O-N 3.39Å; A483-V485 HydrophobicContact CB-CG2 3.92Å |
| 484 | N | 79.3 | Confident | 78.3 | Confident | 88 Ų | 88 | 34.5 Ų | 34.5 | 47% | 0.471 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 52.7 | -177.5 | -158.4 | 41.7 | 0 | 0 | 0 | 113.8 | Y480 R482 P486 V509 | Y480-N484 PolarHBondContact O-N 2.98Å; R482-N484 PolarHBondContact O-N 2.8Å; N484-P486 VanDerWaalsContact O-CD 3.3Å; N484-P486 WeakPolarHBondContact O-CD 3.39Å; N484-V509 WeakPolarHBondContact OD1-CG1 3.41Å; N484-V509 WeakPolarHBondContact OD1-CG2 3.23Å |
| 485 | V | 79.5 | Confident | 77.9 | Confident | 18 Ų | 18 | 35.9 Ų | 35.9 | 11% | 0.109 | 19% | 0.188 | C | C | . | . | trans | -110.7 | 87.7 | 179.4 | -173.9 | 0 | 0 | 0 | 0 | 110.4 | E462 Y480 A483 K488 V489 | E462-V485 HydrophobicContact CB-CG1 4.38Å; E462-V485 HydrophobicContact CB-CG2 3.71Å; E462-V485 HydrophobicContact CG-CG1 3.96Å; E462-V485 HydrophobicContact CG-CG2 4.2Å; Y480-V485 HydrophobicContact CD1-CB 4.49Å; Y480-V485 PolarHBondContact O-N 3.15Å; Y480-V485 VanDerWaalsContact O-N 3.15Å; A483-V485 HydrophobicContact CB-CG2 3.92Å; V485-K488 HydrophobicContact CG1-CB 4.19Å; V485-K488 HydrophobicContact CG1-CG 4Å; V485-K488 PolarHBondContact O-N 3.48Å; V485-V489 WeakPolarHBondContact O-CG2 3.23Å; V485-V489 PolarHBondContact O-N 3.16Å | ||
| 486 | P | 76.9 | Confident | 77.6 | Confident | 19 Ų | 19 | 37.5 Ų | 37.5 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.1 | -40.9 | -161.8 | -26 | 39.2 | 0 | 0 | 0 | 116.5 | N484 K488 V489 V490 Y505 V509 Y511 | N484-P486 VanDerWaalsContact O-CD 3.3Å; N484-P486 WeakPolarHBondContact O-CD 3.39Å; P486-K488 VanDerWaalsContact C-N 3.28Å; P486-K488 PolarHBondContact O-N 3.35Å; P486-V489 PolarHBondContact O-N 3.39Å; P486-V490 VanDerWaalsContact O-CG2 3.29Å; P486-V490 WeakPolarHBondContact O-CG2 3.46Å; P486-V490 PolarHBondContact O-N 3.27Å; P486-Y505 HydrophobicContact CB-CE1 3.95Å; P486-Y505 HydrophobicContact CG-CE1 4.41Å; P486-V509 HydrophobicContact CG-CB 4.34Å; P486-V509 HydrophobicContact CG-CG1 3.5Å; P486-V509 VanDerWaalsContact CG-CG1 3.5Å; P486-Y511 VanDerWaalsContact CB-CB 3.42Å; P486-Y511 HydrophobicContact CB-CD1 3.4Å; P486-Y511 VanDerWaalsContact CB-CD1 3.4Å; P486-Y511 HydrophobicContact CB-CD2 3.89Å; P486-Y511 HydrophobicContact CB-CE1 4.1Å; P486-Y511 HydrophobicContact CB-CG 3.28Å; P486-Y511 HydrophobicContact CG-CD2 4.41Å; P486-Y511 HydrophobicContact CG-CG 4.04Å |
| 487 | P | 76.7 | Confident | 76.9 | Confident | 63 Ų | 63 | 39.6 Ų | 39.6 | 41% | 0.409 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -56 | -42.8 | -179.9 | -22.7 | 29.7 | 0 | 0 | 0 | 112.7 | Q491 Y511 | P487-Q491 WeakPolarHBondContact O-CB 3.26Å; P487-Q491 PolarHBondContact O-N 3.36Å; P487-Y511 HydrophobicContact CG-CE1 4.44Å; P487-Y511 HydrophobicContact CG-CE2 4.07Å |
| 488 | K | 78.8 | Confident | 76.6 | Confident | 59 Ų | 59 | 41.7 Ų | 41.7 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -73.8 | -36.7 | -178.9 | -64.8 | -73.2 | -174.3 | 158.2 | 0 | 112.4 | D466 Y480 V485 P486 Q491 C492 | D466-K488 IonicContact OD1-NZ 3.87Å; Y480-K488 HydrophobicContact CD1-CB 4.02Å; Y480-K488 HydrophobicContact CD2-CB 4.15Å; Y480-K488 HydrophobicContact CE1-CB 4.04Å; Y480-K488 HydrophobicContact CE1-CG 4.25Å; Y480-K488 HydrophobicContact CE2-CB 4.2Å; Y480-K488 HydrophobicContact CG-CB 4.06Å; V485-K488 HydrophobicContact CG1-CB 4.19Å; V485-K488 HydrophobicContact CG1-CG 4Å; V485-K488 PolarHBondContact O-N 3.48Å; P486-K488 VanDerWaalsContact C-N 3.28Å; P486-K488 PolarHBondContact O-N 3.35Å; K488-Q491 PolarHBondContact O-N 3.14Å; K488-C492 WeakPolarHBondContact O-CB 3.32Å; K488-C492 PolarHBondContact O-N 3.48Å; K488-C492 PolarHBondContact O-SG 3.48Å |
| 489 | V | 79.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -46.7 | 174.1 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | L477 Y480 L481 V485 P486 Q491 C492 F493 Y505 | L477-V489 HydrophobicContact CD1-CG1 3.96Å; Y480-V489 VanDerWaalsContact C-CG2 3.41Å; L481-V489 HydrophobicContact CB-CG2 4.37Å; L481-V489 HydrophobicContact CD1-CG1 4.37Å; V485-V489 WeakPolarHBondContact O-CG2 3.23Å; V485-V489 PolarHBondContact O-N 3.16Å; P486-V489 PolarHBondContact O-N 3.39Å; V489-Q491 PolarHBondContact O-N 3.13Å; V489-C492 PolarHBondContact O-N 3.3Å; V489-F493 HydrophobicContact CG1-CD2 3.48Å; V489-F493 VanDerWaalsContact CG1-CD2 3.48Å; V489-F493 HydrophobicContact CG1-CE2 3.21Å; V489-F493 HydrophobicContact CG1-CZ 4.09Å; V489-F493 WeakPolarHBondContact O-CB 3.37Å; V489-F493 WeakPolarHBondContact O-CD2 3.46Å; V489-F493 PolarHBondContact O-N 2.89Å; V489-Y505 HydrophobicContact CB-CD1 4.05Å; V489-Y505 HydrophobicContact CB-CE1 3.48Å; V489-Y505 VanDerWaalsContact CB-CE1 3.48Å; V489-Y505 HydrophobicContact CG1-CD1 3.47Å; V489-Y505 VanDerWaalsContact CG1-CD1 3.47Å; V489-Y505 HydrophobicContact CG1-CD2 4.07Å; V489-Y505 HydrophobicContact CG1-CE1 3.39Å; V489-Y505 HydrophobicContact CG1-CE2 4.01Å; V489-Y505 HydrophobicContact CG1-CG 3.81Å; V489-Y505 HydrophobicContact CG2-CE1 3.98Å; V489-Y505 HydrophobicContact CG2-CE2 4.33Å |
| 490 | V | 77.1 | Confident | 75.6 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 177.6 | 175 | 0 | 0 | 0 | 0 | 110.6 | P486 C492 F493 A494 I502 Y511 P513 L518 | P486-V490 VanDerWaalsContact O-CG2 3.29Å; P486-V490 WeakPolarHBondContact O-CG2 3.46Å; P486-V490 PolarHBondContact O-N 3.27Å; V490-C492 PolarHBondContact O-N 3.42Å; V490-F493 PolarHBondContact O-N 2.99Å; V490-A494 WeakPolarHBondContact O-CB 3.31Å; V490-A494 PolarHBondContact O-N 3.37Å; V490-I502 HydrophobicContact CG1-CD1 4.36Å; V490-I502 HydrophobicContact CG1-CG2 3.91Å; V490-I502 HydrophobicContact CG2-CG2 4.13Å; V490-Y511 HydrophobicContact CG2-CD1 4.36Å; V490-Y511 HydrophobicContact CG2-CE1 4.42Å; V490-P513 HydrophobicContact CG1-CB 4Å; V490-P513 HydrophobicContact CG1-CG 4.36Å; V490-P513 HydrophobicContact CG2-CB 4.41Å; V490-P513 HydrophobicContact CG2-CG 4.32Å; V490-L518 HydrophobicContact CG1-CD1 4.14Å |
| 491 | Q | 76.7 | Confident | 75.1 | Confident | 87 Ų | 87 | 53.1 Ų | 53.1 | 41% | 0.407 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 174.8 | -176.1 | -178.6 | -1.4 | 0 | 0 | 111.7 | P487 K488 V489 A494 E495 | P487-Q491 WeakPolarHBondContact O-CB 3.26Å; P487-Q491 PolarHBondContact O-N 3.36Å; K488-Q491 PolarHBondContact O-N 3.14Å; V489-Q491 PolarHBondContact O-N 3.13Å; Q491-A494 PolarHBondContact O-N 3.27Å; Q491-E495 HydrophobicContact CG-CG 4.43Å; Q491-E495 WeakPolarHBondContact CG-OE1 3.03Å; Q491-E495 PolarHBondContact NE2-OE1 3.32Å; Q491-E495 WeakPolarHBondContact O-CB 3.37Å; Q491-E495 WeakPolarHBondContact O-CG 3.33Å; Q491-E495 PolarHBondContact O-N 3.15Å |
| 492 | C | 77 | Confident | 74.9 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.9 | -37.5 | 179.2 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | L477 K488 V489 V490 A494 T496 | L477-C492 HydrophobicContact CB-CB 4.18Å; L477-C492 HydrophobicContact CD1-CB 3.71Å; L477-C492 HydrophobicContact CG-CB 4.49Å; K488-C492 WeakPolarHBondContact O-CB 3.32Å; K488-C492 PolarHBondContact O-N 3.48Å; K488-C492 PolarHBondContact O-SG 3.48Å; V489-C492 PolarHBondContact O-N 3.3Å; V490-C492 PolarHBondContact O-N 3.42Å; C492-A494 VanDerWaalsContact C-N 3.34Å; C492-T496 WeakPolarHBondContact O-CB 3.47Å; C492-T496 VanDerWaalsContact O-CG2 3.27Å; C492-T496 WeakPolarHBondContact O-CG2 3.24Å; C492-T496 PolarHBondContact O-N 2.83Å; C492-T496 PolarHBondContact O-OG1 3.44Å |
| 493 | F | 77.2 | Confident | 74.7 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 2% | 0.022 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.2 | -39.2 | 173.2 | -79.5 | -45.8 | 0 | 0 | 0 | 112 | L477 L481 V489 V490 T496 G497 Q498 K501 I502 Y505 | L477-F493 HydrophobicContact CD1-CD1 3.81Å; L477-F493 HydrophobicContact CD1-CD2 4.26Å; L477-F493 HydrophobicContact CD1-CE1 3.81Å; L477-F493 HydrophobicContact CD1-CE2 4.26Å; L477-F493 HydrophobicContact CD1-CG 4.05Å; L477-F493 HydrophobicContact CD1-CZ 4.04Å; L477-F493 HydrophobicContact CD2-CD1 3.78Å; L477-F493 HydrophobicContact CD2-CE1 3.63Å; L477-F493 HydrophobicContact CD2-CZ 4.48Å; L477-F493 HydrophobicContact CG-CD1 4.41Å; L477-F493 HydrophobicContact CG-CE1 4.17Å; L481-F493 HydrophobicContact CD1-CE2 4.14Å; L481-F493 HydrophobicContact CD1-CZ 3.58Å; V489-F493 HydrophobicContact CG1-CD2 3.48Å; V489-F493 VanDerWaalsContact CG1-CD2 3.48Å; V489-F493 HydrophobicContact CG1-CE2 3.21Å; V489-F493 HydrophobicContact CG1-CZ 4.09Å; V489-F493 WeakPolarHBondContact O-CB 3.37Å; V489-F493 WeakPolarHBondContact O-CD2 3.46Å; V489-F493 PolarHBondContact O-N 2.89Å; V490-F493 PolarHBondContact O-N 2.99Å; F493-T496 WeakPolarHBondContact CA-OG1 3.18Å; F493-T496 PolarHBondContact O-N 3.45Å; F493-T496 PolarHBondContact O-OG1 3.23Å; F493-G497 PolarHBondContact O-N 2.83Å; F493-G497 VanDerWaalsContact O-N 3.17Å; F493-Q498 HydrophobicContact CD1-CB 3.91Å; F493-Q498 PolarHBondContact O-N 3.48Å; F493-K501 HydrophobicContact CD1-CB 3.92Å; F493-K501 HydrophobicContact CD1-CD 4.41Å; F493-K501 HydrophobicContact CD2-CB 4.44Å; F493-K501 HydrophobicContact CE1-CB 3.52Å; F493-K501 HydrophobicContact CE1-CD 3.67Å; F493-K501 HydrophobicContact CE1-CG 4.25Å; F493-K501 HydrophobicContact CE2-CB 4.09Å; F493-K501 HydrophobicContact CG-CB 4.37Å; F493-K501 HydrophobicContact CZ-CB 3.62Å; F493-K501 HydrophobicContact CZ-CD 4.23Å; F493-I502 HydrophobicContact CB-CD1 3.96Å; F493-I502 HydrophobicContact CB-CG1 3.38Å; F493-I502 HydrophobicContact CD2-CG1 4.07Å; F493-I502 HydrophobicContact CG-CG1 4.07Å; F493-Y505 HydrophobicContact CE2-CD1 4.41Å; F493-Y505 HydrophobicContact CE2-CG 4.04Å |
| 494 | A | 69.5 | Low | 74.5 | Confident | 27 Ų | 27 | 47.9 Ų | 47.9 | 22% | 0.223 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.9 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V490 Q491 C492 T496 G497 F499 I502 L518 | V490-A494 WeakPolarHBondContact O-CB 3.31Å; V490-A494 PolarHBondContact O-N 3.37Å; Q491-A494 PolarHBondContact O-N 3.27Å; C492-A494 VanDerWaalsContact C-N 3.34Å; A494-T496 VanDerWaalsContact C-N 3.27Å; A494-T496 PolarHBondContact O-N 2.89Å; A494-G497 PolarHBondContact O-N 3.46Å; A494-F499 HydrophobicContact CB-CE1 3.92Å; A494-I502 HydrophobicContact CB-CD1 4.35Å; A494-L518 HydrophobicContact CB-CD2 4.26Å |
| 495 | E | 68.8 | Low | 74.3 | Confident | 109 Ų | 109 | 44.2 Ų | 44.2 | 51% | 0.509 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.7 | -32.6 | 176.4 | -73.8 | 170.6 | -176.7 | 0 | 0 | 112.5 | K469 Q491 | K469-E495 IonicContact NZ-OE1 2.82Å; K469-E495 PolarHBondContact NZ-OE1 3.36Å; K469-E495 IonicContact NZ-OE2 3.78Å; K469-E495 PolarHBondContact NZ-OE2 3.45Å; Q491-E495 HydrophobicContact CG-CG 4.43Å; Q491-E495 WeakPolarHBondContact CG-OE1 3.03Å; Q491-E495 PolarHBondContact NE2-OE1 3.32Å; Q491-E495 WeakPolarHBondContact O-CB 3.37Å; Q491-E495 WeakPolarHBondContact O-CG 3.33Å; Q491-E495 PolarHBondContact O-N 3.15Å |
| 496 | T | 72.4 | Confident | 74 | Confident | 48 Ų | 48 | 43.5 Ų | 43.5 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 1.4 | 178.8 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | C492 F493 A494 Q498 | C492-T496 WeakPolarHBondContact O-CB 3.47Å; C492-T496 VanDerWaalsContact O-CG2 3.27Å; C492-T496 WeakPolarHBondContact O-CG2 3.24Å; C492-T496 PolarHBondContact O-N 2.83Å; C492-T496 PolarHBondContact O-OG1 3.44Å; F493-T496 WeakPolarHBondContact CA-OG1 3.18Å; F493-T496 PolarHBondContact O-N 3.45Å; F493-T496 PolarHBondContact O-OG1 3.23Å; A494-T496 VanDerWaalsContact C-N 3.27Å; A494-T496 PolarHBondContact O-N 2.89Å; T496-Q498 VanDerWaalsContact C-N 3.26Å; T496-Q498 PolarHBondContact O-N 3.07Å |
| 497 | G | 67.1 | Low | 73.7 | Confident | 44 Ų | 44 | 46 Ų | 46 | 45% | 0.454 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 11.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | F493 A494 F499 | F493-G497 PolarHBondContact O-N 2.83Å; F493-G497 VanDerWaalsContact O-N 3.17Å; A494-G497 PolarHBondContact O-N 3.46Å; G497-F499 VanDerWaalsContact C-N 3.32Å; G497-F499 VanDerWaalsContact O-CD2 3.3Å; G497-F499 WeakPolarHBondContact O-CD2 3.39Å; G497-F499 PolarHBondContact O-N 3.03Å |
| 498 | Q | 74 | Confident | 73.5 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 28% | 0.28 | 26% | 0.26 | S | S | . | . | trans | -92.4 | 52.9 | -175.4 | -64.5 | -177 | 34.2 | 0 | 0 | 112.3 | F493 T496 Q500 K501 | F493-Q498 HydrophobicContact CD1-CB 3.91Å; F493-Q498 PolarHBondContact O-N 3.48Å; T496-Q498 VanDerWaalsContact C-N 3.26Å; T496-Q498 PolarHBondContact O-N 3.07Å; Q498-Q500 VanDerWaalsContact C-N 3.31Å; Q498-Q500 PolarHBondContact O-N 3.34Å; Q498-K501 HydrophobicContact CB-CD 4.39Å; Q498-K501 PolarHBondContact O-N 3.17Å; Q498-K501 VanDerWaalsContact O-N 3.09Å | ||
| 499 | F | 70.3 | Confident | 73.2 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 18% | 0.184 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -32.7 | -171.1 | -57.3 | -78.5 | 0 | 0 | 0 | 114.4 | A494 G497 K501 I502 L522 F533 | A494-F499 HydrophobicContact CB-CE1 3.92Å; G497-F499 VanDerWaalsContact C-N 3.32Å; G497-F499 VanDerWaalsContact O-CD2 3.3Å; G497-F499 WeakPolarHBondContact O-CD2 3.39Å; G497-F499 PolarHBondContact O-N 3.03Å; F499-K501 PolarHBondContact O-N 3.39Å; F499-I502 HydrophobicContact CB-CD1 4.43Å; F499-I502 HydrophobicContact CD1-CD1 3.82Å; F499-I502 VanDerWaalsContact O-CB 3.28Å; F499-I502 WeakPolarHBondContact O-CB 3.06Å; F499-I502 PolarHBondContact O-N 3.5Å; F499-I502 VanDerWaalsContact O-N 3.07Å; F499-L522 HydrophobicContact CB-CD1 4Å; F499-L522 HydrophobicContact CD1-CD1 3.44Å; F499-L522 VanDerWaalsContact CD1-CD1 3.44Å; F499-L522 HydrophobicContact CD2-CD1 3.32Å; F499-L522 HydrophobicContact CD2-CG 4.49Å; F499-L522 HydrophobicContact CE1-CD1 3.62Å; F499-L522 HydrophobicContact CE2-CD1 3.49Å; F499-L522 VanDerWaalsContact CE2-CD1 3.49Å; F499-L522 HydrophobicContact CE2-CG 4.36Å; F499-L522 HydrophobicContact CG-CD1 3.29Å; F499-L522 HydrophobicContact CZ-CD1 3.65Å; F499-F533 HydrophobicContact CB-CD2 3.88Å; F499-F533 HydrophobicContact CB-CE2 4.1Å |
| 500 | Q | 69.5 | Low | 72.8 | Confident | 116 Ų | 116 | 53.8 Ų | 53.8 | 54% | 0.542 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.5 | -33.9 | 176.6 | -61.9 | -173.8 | -10.6 | 0 | 0 | 112.3 | Q498 I502 M536 | Q498-Q500 VanDerWaalsContact C-N 3.31Å; Q498-Q500 PolarHBondContact O-N 3.34Å; Q500-I502 VanDerWaalsContact C-N 3.32Å; Q500-I502 PolarHBondContact O-N 3.4Å; Q500-M536 HydrophobicContact CB-CE 3.93Å; Q500-M536 HydrophobicContact CB-SD 3.87Å; Q500-M536 HydrophobicContact CG-CE 4.37Å; Q500-M536 HydrophobicContact CG-SD 3.67Å; Q500-M536 WeakPolarHBondContact O-CE 3.44Å |
| 501 | K | 74.2 | Confident | 72.6 | Confident | 112 Ų | 112 | 57.2 Ų | 57.2 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -76.4 | -20 | -179.3 | -64.2 | -174.3 | -175.3 | 170.1 | 0 | 113 | F493 Q498 F499 I503 Y505 | F493-K501 HydrophobicContact CD1-CB 3.92Å; F493-K501 HydrophobicContact CD1-CD 4.41Å; F493-K501 HydrophobicContact CD2-CB 4.44Å; F493-K501 HydrophobicContact CE1-CB 3.52Å; F493-K501 HydrophobicContact CE1-CD 3.67Å; F493-K501 HydrophobicContact CE1-CG 4.25Å; F493-K501 HydrophobicContact CE2-CB 4.09Å; F493-K501 HydrophobicContact CG-CB 4.37Å; F493-K501 HydrophobicContact CZ-CB 3.62Å; F493-K501 HydrophobicContact CZ-CD 4.23Å; Q498-K501 HydrophobicContact CB-CD 4.39Å; Q498-K501 PolarHBondContact O-N 3.17Å; Q498-K501 VanDerWaalsContact O-N 3.09Å; F499-K501 PolarHBondContact O-N 3.39Å; K501-I503 VanDerWaalsContact C-N 3.34Å; K501-I503 PolarHBondContact O-N 2.92Å; K501-Y505 WeakPolarHBondContact O-CB 3.15Å; K501-Y505 PolarHBondContact O-N 2.92Å |
| 502 | I | 74.3 | Confident | 72.3 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.5 | -47.5 | 177.7 | -64.6 | 176.6 | 0 | 0 | 0 | 110.1 | V490 F493 A494 F499 Q500 Y505 A506 P513 | V490-I502 HydrophobicContact CG1-CD1 4.36Å; V490-I502 HydrophobicContact CG1-CG2 3.91Å; V490-I502 HydrophobicContact CG2-CG2 4.13Å; F493-I502 HydrophobicContact CB-CD1 3.96Å; F493-I502 HydrophobicContact CB-CG1 3.38Å; F493-I502 HydrophobicContact CD2-CG1 4.07Å; F493-I502 HydrophobicContact CG-CG1 4.07Å; A494-I502 HydrophobicContact CB-CD1 4.35Å; F499-I502 HydrophobicContact CB-CD1 4.43Å; F499-I502 HydrophobicContact CD1-CD1 3.82Å; F499-I502 VanDerWaalsContact O-CB 3.28Å; F499-I502 WeakPolarHBondContact O-CB 3.06Å; F499-I502 PolarHBondContact O-N 3.5Å; F499-I502 VanDerWaalsContact O-N 3.07Å; Q500-I502 VanDerWaalsContact C-N 3.32Å; Q500-I502 PolarHBondContact O-N 3.4Å; I502-Y505 PolarHBondContact O-N 3.46Å; I502-A506 WeakPolarHBondContact O-CB 3.31Å; I502-A506 PolarHBondContact O-N 3.49Å; I502-P513 HydrophobicContact CG2-CG 4.49Å |
| 503 | I | 72.3 | Confident | 72 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.4 | -45.4 | -174.5 | -64.6 | 168.9 | 0 | 0 | 0 | 110.8 | K501 Y505 A506 K507 F533 M536 L537 L544 | K501-I503 VanDerWaalsContact C-N 3.34Å; K501-I503 PolarHBondContact O-N 2.92Å; I503-Y505 VanDerWaalsContact C-N 3.25Å; I503-Y505 PolarHBondContact O-N 3.31Å; I503-A506 PolarHBondContact O-N 2.71Å; I503-K507 HydrophobicContact CG2-CD 4.18Å; I503-K507 VanDerWaalsContact CG2-CE 3.43Å; I503-K507 WeakPolarHBondContact O-CG 3.39Å; I503-K507 PolarHBondContact O-N 3.14Å; I503-K507 VanDerWaalsContact O-N 3.11Å; I503-F533 HydrophobicContact CD1-CD2 3.93Å; I503-F533 HydrophobicContact CD1-CE2 3.73Å; I503-F533 HydrophobicContact CG1-CE2 4Å; I503-M536 HydrophobicContact CD1-CB 3.3Å; I503-M536 HydrophobicContact CD1-CE 4.48Å; I503-M536 HydrophobicContact CD1-CG 4.48Å; I503-L537 HydrophobicContact CD1-CD2 3.68Å; I503-L537 HydrophobicContact CD1-CG 3.91Å; I503-L537 HydrophobicContact CG1-CD2 3.84Å; I503-L544 HydrophobicContact CG2-CD1 4.11Å |
| 504 | V | 74.5 | Confident | 71.9 | Confident | 95 Ų | 95 | 63.8 Ų | 63.8 | 58% | 0.576 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.1 | -42.1 | 176.4 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | K508 | V504-K508 WeakPolarHBondContact O-CB 3.24Å; V504-K508 PolarHBondContact O-N 2.89Å |
| 505 | Y | 73.4 | Confident | 72.4 | Confident | 11 Ų | 11 | 63 Ų | 63 | 4% | 0.043 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71 | -45.6 | 179 | 177.8 | -99 | 0 | 0 | 0 | 112.6 | L481 P486 V489 F493 K501 I502 I503 K507 K508 V509 | L481-Y505 HydrophobicContact CD1-CD2 4.2Å; L481-Y505 HydrophobicContact CD2-CD2 4.39Å; L481-Y505 HydrophobicContact CD2-CE2 4.39Å; L481-Y505 HydrophobicContact CG-CD2 3.84Å; L481-Y505 HydrophobicContact CG-CE2 3.75Å; P486-Y505 HydrophobicContact CB-CE1 3.95Å; P486-Y505 HydrophobicContact CG-CE1 4.41Å; V489-Y505 HydrophobicContact CB-CD1 4.05Å; V489-Y505 HydrophobicContact CB-CE1 3.48Å; V489-Y505 VanDerWaalsContact CB-CE1 3.48Å; V489-Y505 HydrophobicContact CG1-CD1 3.47Å; V489-Y505 VanDerWaalsContact CG1-CD1 3.47Å; V489-Y505 HydrophobicContact CG1-CD2 4.07Å; V489-Y505 HydrophobicContact CG1-CE1 3.39Å; V489-Y505 HydrophobicContact CG1-CE2 4.01Å; V489-Y505 HydrophobicContact CG1-CG 3.81Å; V489-Y505 HydrophobicContact CG2-CE1 3.98Å; V489-Y505 HydrophobicContact CG2-CE2 4.33Å; F493-Y505 HydrophobicContact CE2-CD1 4.41Å; F493-Y505 HydrophobicContact CE2-CG 4.04Å; K501-Y505 WeakPolarHBondContact O-CB 3.15Å; K501-Y505 PolarHBondContact O-N 2.92Å; I502-Y505 PolarHBondContact O-N 3.46Å; I503-Y505 VanDerWaalsContact C-N 3.25Å; I503-Y505 PolarHBondContact O-N 3.31Å; Y505-K507 VanDerWaalsContact C-N 3.31Å; Y505-K507 PolarHBondContact O-N 3.47Å; Y505-K508 PolarHBondContact O-N 2.93Å; Y505-V509 HydrophobicContact CD2-CG2 4.04Å; Y505-V509 HydrophobicContact CE1-CG2 4.14Å; Y505-V509 HydrophobicContact CE2-CG2 3.54Å; Y505-V509 WeakPolarHBondContact O-CG2 3.39Å; Y505-V509 PolarHBondContact O-N 2.6Å |
| 506 | A | 73.7 | Confident | 72.9 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 3% | 0.025 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.2 | -43.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I502 I503 V509 G510 Y511 Y515 | I502-A506 WeakPolarHBondContact O-CB 3.31Å; I502-A506 PolarHBondContact O-N 3.49Å; I503-A506 PolarHBondContact O-N 2.71Å; A506-V509 PolarHBondContact O-N 3.37Å; A506-G510 WeakPolarHBondContact O-CA 3.24Å; A506-G510 PolarHBondContact O-N 3.12Å; A506-Y511 WeakPolarHBondContact CB-O 3.07Å; A506-Y511 PolarHBondContact O-N 3.46Å; A506-Y511 VanDerWaalsContact O-N 3.07Å; A506-Y515 WeakPolarHBondContact CB-OH 3.45Å |
| 507 | K | 70.7 | Confident | 73.1 | Confident | 73 Ų | 73 | 62.9 Ų | 62.9 | 32% | 0.317 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 175.3 | -68.9 | 166.7 | -176.2 | 179.6 | 0 | 112.6 | I503 Y505 V509 G510 D540 | I503-K507 HydrophobicContact CG2-CD 4.18Å; I503-K507 VanDerWaalsContact CG2-CE 3.43Å; I503-K507 WeakPolarHBondContact O-CG 3.39Å; I503-K507 PolarHBondContact O-N 3.14Å; I503-K507 VanDerWaalsContact O-N 3.11Å; Y505-K507 VanDerWaalsContact C-N 3.31Å; Y505-K507 PolarHBondContact O-N 3.47Å; K507-V509 PolarHBondContact O-N 3.46Å; K507-G510 PolarHBondContact O-N 3.4Å; K507-D540 WeakPolarHBondContact CD-OD2 3.45Å; K507-D540 WeakPolarHBondContact CE-OD2 2.87Å; K507-D540 IonicContact NZ-OD1 2.58Å; K507-D540 PolarHBondContact NZ-OD1 3.44Å; K507-D540 IonicContact NZ-OD2 3.86Å; K507-D540 PolarHBondContact NZ-OD2 2.83Å |
| 508 | K | 72.4 | Confident | 73.5 | Confident | 176 Ų | 176 | 62.1 Ų | 62.1 | 77% | 0.765 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.7 | -32.6 | -179.3 | -172.5 | 178.6 | 178.9 | -176.3 | 0 | 111.8 | V504 Y505 | V504-K508 WeakPolarHBondContact O-CB 3.24Å; V504-K508 PolarHBondContact O-N 2.89Å; Y505-K508 PolarHBondContact O-N 2.93Å |
| 509 | V | 73.4 | Confident | 73.8 | Confident | 40 Ų | 40 | 59.4 Ų | 59.4 | 24% | 0.242 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -100 | -19.2 | -176.6 | -176.3 | 0 | 0 | 0 | 0 | 113.6 | N484 P486 Y505 A506 K507 | N484-V509 WeakPolarHBondContact OD1-CG1 3.41Å; N484-V509 WeakPolarHBondContact OD1-CG2 3.23Å; P486-V509 HydrophobicContact CG-CB 4.34Å; P486-V509 HydrophobicContact CG-CG1 3.5Å; P486-V509 VanDerWaalsContact CG-CG1 3.5Å; Y505-V509 HydrophobicContact CD2-CG2 4.04Å; Y505-V509 HydrophobicContact CE1-CG2 4.14Å; Y505-V509 HydrophobicContact CE2-CG2 3.54Å; Y505-V509 WeakPolarHBondContact O-CG2 3.39Å; Y505-V509 PolarHBondContact O-N 2.6Å; A506-V509 PolarHBondContact O-N 3.37Å; K507-V509 PolarHBondContact O-N 3.46Å |
| 510 | G | 70.1 | Confident | 74.2 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 71% | 0.711 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 33.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A506 K507 | A506-G510 WeakPolarHBondContact O-CA 3.24Å; A506-G510 PolarHBondContact O-N 3.12Å; K507-G510 PolarHBondContact O-N 3.4Å |
| 511 | Y | 72.6 | Confident | 74.5 | Confident | 82 Ų | 82 | 60.6 Ų | 60.6 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | trans | -107.3 | 138 | 176.7 | 179.6 | -106.7 | 0 | 0 | 0 | 111.8 | P486 P487 V490 A506 P513 | P486-Y511 VanDerWaalsContact CB-CB 3.42Å; P486-Y511 HydrophobicContact CB-CD1 3.4Å; P486-Y511 VanDerWaalsContact CB-CD1 3.4Å; P486-Y511 HydrophobicContact CB-CD2 3.89Å; P486-Y511 HydrophobicContact CB-CE1 4.1Å; P486-Y511 HydrophobicContact CB-CG 3.28Å; P486-Y511 HydrophobicContact CG-CD2 4.41Å; P486-Y511 HydrophobicContact CG-CG 4.04Å; P487-Y511 HydrophobicContact CG-CE1 4.44Å; P487-Y511 HydrophobicContact CG-CE2 4.07Å; V490-Y511 HydrophobicContact CG2-CD1 4.36Å; V490-Y511 HydrophobicContact CG2-CE1 4.42Å; A506-Y511 WeakPolarHBondContact CB-O 3.07Å; A506-Y511 PolarHBondContact O-N 3.46Å; A506-Y511 VanDerWaalsContact O-N 3.07Å; Y511-P513 HydrophobicContact CD1-CB 4.42Å; Y511-P513 HydrophobicContact CD1-CG 4.5Å; Y511-P513 HydrophobicContact CE1-CB 3.96Å; Y511-P513 VanDerWaalsContact O-CD 3.23Å; Y511-P513 WeakPolarHBondContact O-CD 3.44Å | ||
| 512 | T | 71 | Confident | 74.6 | Confident | 111 Ų | 111 | 55.5 Ų | 55.5 | 68% | 0.681 | 29% | 0.289 | S | S | * | . | trans | -111.2 | 90.6 | -177.9 | 44.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 513 | P | 69.7 | Low | 74.7 | Confident | 14 Ų | 14 | 55.6 Ų | 55.6 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | trans | -69.1 | 161.9 | 171.5 | 29.5 | -34.8 | 0 | 0 | 0 | 112.1 | V490 I502 Y511 Y515 | V490-P513 HydrophobicContact CG1-CB 4Å; V490-P513 HydrophobicContact CG1-CG 4.36Å; V490-P513 HydrophobicContact CG2-CB 4.41Å; V490-P513 HydrophobicContact CG2-CG 4.32Å; I502-P513 HydrophobicContact CG2-CG 4.49Å; Y511-P513 HydrophobicContact CD1-CB 4.42Å; Y511-P513 HydrophobicContact CD1-CG 4.5Å; Y511-P513 HydrophobicContact CE1-CB 3.96Å; Y511-P513 VanDerWaalsContact O-CD 3.23Å; Y511-P513 WeakPolarHBondContact O-CD 3.44Å; P513-Y515 VanDerWaalsContact C-N 3.3Å; P513-Y515 VanDerWaalsContact CD-CZ 3.45Å; P513-Y515 WeakPolarHBondContact CD-OH 3.47Å; P513-Y515 HydrophobicContact CG-CD1 3.85Å; P513-Y515 HydrophobicContact CG-CE1 3.37Å; P513-Y515 HydrophobicContact CG-CE2 4.08Å; P513-Y515 HydrophobicContact CG-CG 4.42Å; P513-Y515 VanDerWaalsContact CG-CZ 3.5Å; P513-Y515 WeakPolarHBondContact O-CD2 3.18Å; P513-Y515 PolarHBondContact O-N 2.79Å | ||
| 514 | D | 77 | Confident | 74.9 | Confident | 106 Ų | 106 | 64.6 Ų | 64.6 | 57% | 0.567 | 32% | 0.324 | S | S | * | . | trans | -72 | 86 | 170.9 | -173.9 | -13.8 | 0 | 0 | 0 | 110.3 | I516 F517 L518 | D514-I516 VanDerWaalsContact C-N 3.28Å; D514-I516 PolarHBondContact O-N 2.76Å; D514-I516 PolarHBondContact OD1-N 2.98Å; D514-F517 HydrophobicContact CB-CB 4.41Å; D514-F517 PolarHBondContact OD1-N 3.37Å; D514-F517 VanDerWaalsContact OD1-N 3.13Å; D514-L518 PolarHBondContact O-N 3.44Å | ||
| 515 | Y | 79.3 | Confident | 74.9 | Confident | 9 Ų | 9 | 67.1 Ų | 67.1 | 4% | 0.035 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.1 | -28.8 | -177.3 | -65.3 | -67.7 | 0 | 0 | 0 | 113.4 | A506 P513 L518 L519 F533 L537 L544 V545 | A506-Y515 WeakPolarHBondContact CB-OH 3.45Å; P513-Y515 VanDerWaalsContact C-N 3.3Å; P513-Y515 VanDerWaalsContact CD-CZ 3.45Å; P513-Y515 WeakPolarHBondContact CD-OH 3.47Å; P513-Y515 HydrophobicContact CG-CD1 3.85Å; P513-Y515 HydrophobicContact CG-CE1 3.37Å; P513-Y515 HydrophobicContact CG-CE2 4.08Å; P513-Y515 HydrophobicContact CG-CG 4.42Å; P513-Y515 VanDerWaalsContact CG-CZ 3.5Å; P513-Y515 WeakPolarHBondContact O-CD2 3.18Å; P513-Y515 PolarHBondContact O-N 2.79Å; Y515-L518 PolarHBondContact O-N 3.29Å; Y515-L519 WeakPolarHBondContact O-CB 3.42Å; Y515-L519 PolarHBondContact O-N 3.3Å; Y515-F533 HydrophobicContact CD1-CZ 4.34Å; Y515-L537 HydrophobicContact CD1-CD2 3.25Å; Y515-L537 HydrophobicContact CD2-CD2 4.26Å; Y515-L537 HydrophobicContact CE1-CD2 3.59Å; Y515-L537 HydrophobicContact CG-CD2 3.6Å; Y515-L544 HydrophobicContact CD2-CB 4.13Å; Y515-L544 HydrophobicContact CE2-CB 3.76Å; Y515-L544 HydrophobicContact CE2-CD1 4.29Å; Y515-L544 HydrophobicContact CE2-CD2 4.37Å; Y515-L544 HydrophobicContact CE2-CG 4.37Å; Y515-V545 HydrophobicContact CD2-CG2 3.86Å; Y515-V545 HydrophobicContact CG-CG2 3.92Å |
| 516 | I | 78.9 | Confident | 75.1 | Confident | 35 Ų | 35 | 69 Ų | 69 | 18% | 0.179 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -74.3 | -41.6 | -176.5 | -64.8 | 145.7 | 0 | 0 | 0 | 110.3 | D514 L518 L519 R520 V545 Q549 V553 | D514-I516 VanDerWaalsContact C-N 3.28Å; D514-I516 PolarHBondContact O-N 2.76Å; D514-I516 PolarHBondContact OD1-N 2.98Å; I516-L518 VanDerWaalsContact C-N 3.3Å; I516-L518 PolarHBondContact O-N 3.24Å; I516-L519 PolarHBondContact O-N 2.91Å; I516-R520 WeakPolarHBondContact O-CB 3.37Å; I516-R520 WeakPolarHBondContact O-CG 3.45Å; I516-R520 PolarHBondContact O-N 3.17Å; I516-V545 HydrophobicContact CD1-CG1 3.8Å; I516-V545 HydrophobicContact CG1-CG1 3.47Å; I516-V545 VanDerWaalsContact CG1-CG1 3.47Å; I516-Q549 HydrophobicContact CD1-CB 4.38Å; I516-V553 HydrophobicContact CG2-CG2 4.44Å |
| 517 | F | 77.7 | Confident | 75.3 | Confident | 120 Ų | 120 | 71.1 Ų | 71.1 | 53% | 0.526 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 172.9 | -178.9 | -100.5 | 0 | 0 | 0 | 111.5 | D514 R520 N521 | D514-F517 HydrophobicContact CB-CB 4.41Å; D514-F517 PolarHBondContact OD1-N 3.37Å; D514-F517 VanDerWaalsContact OD1-N 3.13Å; F517-R520 PolarHBondContact O-N 3.13Å; F517-N521 WeakPolarHBondContact CE1-ND2 3.4Å; F517-N521 VanDerWaalsContact CZ-ND2 3.27Å; F517-N521 WeakPolarHBondContact CZ-ND2 3.46Å; F517-N521 PolarHBondContact O-N 3.08Å; F517-N521 VanDerWaalsContact O-N 3.16Å; F517-N521 PolarHBondContact O-ND2 3.27Å |
| 518 | L | 74.7 | Confident | 75.7 | Confident | 29 Ų | 29 | 72.3 Ų | 72.3 | 15% | 0.152 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 174.8 | -69.7 | 174.7 | 0 | 0 | 0 | 111.5 | V490 A494 D514 Y515 I516 R520 N521 L522 F533 | V490-L518 HydrophobicContact CG1-CD1 4.14Å; A494-L518 HydrophobicContact CB-CD2 4.26Å; D514-L518 PolarHBondContact O-N 3.44Å; Y515-L518 PolarHBondContact O-N 3.29Å; I516-L518 VanDerWaalsContact C-N 3.3Å; I516-L518 PolarHBondContact O-N 3.24Å; L518-R520 PolarHBondContact O-N 3.32Å; L518-N521 PolarHBondContact O-N 3.07Å; L518-L522 VanDerWaalsContact O-CB 3.28Å; L518-L522 WeakPolarHBondContact O-CB 3.25Å; L518-L522 PolarHBondContact O-N 3.36Å; L518-F533 HydrophobicContact CB-CE1 4.07Å; L518-F533 HydrophobicContact CB-CZ 4.44Å |
| 519 | L | 79.2 | Confident | 75.9 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 179 | -178.2 | 66.7 | 0 | 0 | 0 | 111.6 | Y515 I516 N521 L522 T523 G530 F533 A534 V550 V553 | Y515-L519 WeakPolarHBondContact O-CB 3.42Å; Y515-L519 PolarHBondContact O-N 3.3Å; I516-L519 PolarHBondContact O-N 2.91Å; L519-N521 VanDerWaalsContact C-N 3.33Å; L519-N521 PolarHBondContact O-N 3.37Å; L519-L522 PolarHBondContact O-N 2.98Å; L519-L522 VanDerWaalsContact O-N 3.15Å; L519-T523 HydrophobicContact CD1-CG2 3.99Å; L519-T523 HydrophobicContact CG-CG2 4.23Å; L519-T523 WeakPolarHBondContact O-CG2 3.25Å; L519-T523 PolarHBondContact O-N 3.13Å; L519-T523 PolarHBondContact O-OG1 3.35Å; L519-T523 VanDerWaalsContact O-OG1 3.06Å; L519-G530 WeakPolarHBondContact CD1-O 3.48Å; L519-F533 HydrophobicContact CB-CD1 4.36Å; L519-F533 HydrophobicContact CD1-CD1 4.02Å; L519-A534 HydrophobicContact CD1-CB 4Å; L519-A534 HydrophobicContact CD2-CB 4.35Å; L519-V550 HydrophobicContact CD2-CB 4.38Å; L519-V550 HydrophobicContact CD2-CG1 3.86Å; L519-V550 HydrophobicContact CD2-CG2 4.18Å; L519-V553 HydrophobicContact CD2-CG1 4.37Å; L519-V553 HydrophobicContact CG-CG1 4.41Å |
| 520 | R | 79.6 | Confident | 76.2 | Confident | 122 Ų | 122 | 66.4 Ų | 66.4 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 177.8 | -79.2 | -180 | 171.6 | -178.1 | -3.3 | 112.9 | I516 F517 L518 T523 R524 V553 | I516-R520 WeakPolarHBondContact O-CB 3.37Å; I516-R520 WeakPolarHBondContact O-CG 3.45Å; I516-R520 PolarHBondContact O-N 3.17Å; F517-R520 PolarHBondContact O-N 3.13Å; L518-R520 PolarHBondContact O-N 3.32Å; R520-T523 PolarHBondContact O-OG1 3.14Å; R520-R524 VanDerWaalsContact O-CG 3.29Å; R520-R524 WeakPolarHBondContact O-CG 3.43Å; R520-R524 PolarHBondContact O-N 2.83Å; R520-V553 HydrophobicContact CG-CG1 4.02Å; R520-V553 HydrophobicContact CG-CG2 3.74Å |
| 521 | N | 76.7 | Confident | 76.7 | Confident | 61 Ų | 61 | 64.1 Ų | 64.1 | 33% | 0.326 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.7 | -38.3 | 175.9 | -73.8 | -24.5 | 0 | 0 | 0 | 111.3 | F517 L518 L519 R524 I525 | F517-N521 WeakPolarHBondContact CE1-ND2 3.4Å; F517-N521 VanDerWaalsContact CZ-ND2 3.27Å; F517-N521 WeakPolarHBondContact CZ-ND2 3.46Å; F517-N521 PolarHBondContact O-N 3.08Å; F517-N521 VanDerWaalsContact O-N 3.16Å; F517-N521 PolarHBondContact O-ND2 3.27Å; L518-N521 PolarHBondContact O-N 3.07Å; L519-N521 VanDerWaalsContact C-N 3.33Å; L519-N521 PolarHBondContact O-N 3.37Å; N521-R524 PolarHBondContact O-N 2.9Å; N521-I525 WeakPolarHBondContact O-CD1 3.2Å; N521-I525 VanDerWaalsContact O-CG1 3.31Å; N521-I525 WeakPolarHBondContact O-CG1 3.25Å; N521-I525 PolarHBondContact O-N 3.45Å |
| 522 | L | 75.1 | Confident | 77 | Confident | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -72.8 | -41.3 | -176.7 | -158.9 | 146.9 | 0 | 0 | 0 | 112.1 | F499 L518 L519 R524 I525 N526 Q529 F533 | F499-L522 HydrophobicContact CB-CD1 4Å; F499-L522 HydrophobicContact CD1-CD1 3.44Å; F499-L522 VanDerWaalsContact CD1-CD1 3.44Å; F499-L522 HydrophobicContact CD2-CD1 3.32Å; F499-L522 HydrophobicContact CD2-CG 4.49Å; F499-L522 HydrophobicContact CE1-CD1 3.62Å; F499-L522 HydrophobicContact CE2-CD1 3.49Å; F499-L522 VanDerWaalsContact CE2-CD1 3.49Å; F499-L522 HydrophobicContact CE2-CG 4.36Å; F499-L522 HydrophobicContact CG-CD1 3.29Å; F499-L522 HydrophobicContact CZ-CD1 3.65Å; L518-L522 VanDerWaalsContact O-CB 3.28Å; L518-L522 WeakPolarHBondContact O-CB 3.25Å; L518-L522 PolarHBondContact O-N 3.36Å; L519-L522 PolarHBondContact O-N 2.98Å; L519-L522 VanDerWaalsContact O-N 3.15Å; L522-R524 VanDerWaalsContact C-N 3.28Å; L522-R524 PolarHBondContact O-N 3.28Å; L522-I525 PolarHBondContact O-N 3.04Å; L522-I525 VanDerWaalsContact O-N 3.13Å; L522-N526 CarbonylContact O-C 3.57Å; L522-N526 PolarHBondContact O-N 3.5Å; L522-N526 VanDerWaalsContact O-O 3.12Å; L522-Q529 HydrophobicContact CD2-CB 3.68Å; L522-Q529 WeakPolarHBondContact CD2-O 3.47Å; L522-F533 HydrophobicContact CD2-CB 4.43Å |
| 523 | T | 76.2 | Confident | 77.3 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.5 | -32.7 | 174.9 | 52 | 0 | 0 | 0 | 0 | 112.6 | L519 R520 V553 F554 Q557 | L519-T523 HydrophobicContact CD1-CG2 3.99Å; L519-T523 HydrophobicContact CG-CG2 4.23Å; L519-T523 WeakPolarHBondContact O-CG2 3.25Å; L519-T523 PolarHBondContact O-N 3.13Å; L519-T523 PolarHBondContact O-OG1 3.35Å; L519-T523 VanDerWaalsContact O-OG1 3.06Å; R520-T523 PolarHBondContact O-OG1 3.14Å; T523-V553 HydrophobicContact CG2-CG1 4.41Å; T523-F554 HydrophobicContact CG2-CD1 4.45Å; T523-F554 HydrophobicContact CG2-CE1 3.83Å; T523-F554 HydrophobicContact CG2-CZ 4.41Å; T523-Q557 PolarHBondContact OG1-NE2 2.93Å; T523-Q557 VanDerWaalsContact OG1-NE2 3.14Å |
| 524 | R | 76.1 | Confident | 77.9 | Confident | 191 Ų | 191 | 59 Ų | 59 | 72% | 0.721 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.9 | -34 | 173.1 | -76.4 | 176.4 | 178.3 | -171.6 | -0.2 | 113.6 | R520 N521 L522 | R520-R524 VanDerWaalsContact O-CG 3.29Å; R520-R524 WeakPolarHBondContact O-CG 3.43Å; R520-R524 PolarHBondContact O-N 2.83Å; N521-R524 PolarHBondContact O-N 2.9Å; L522-R524 VanDerWaalsContact C-N 3.28Å; L522-R524 PolarHBondContact O-N 3.28Å |
| 525 | I | 74.6 | Confident | 78.1 | Confident | 147 Ų | 147 | 55.5 Ų | 55.5 | 75% | 0.754 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -86.6 | -44.5 | -177.5 | -64.1 | 165.9 | 0 | 0 | 0 | 110.4 | N521 L522 | N521-I525 WeakPolarHBondContact O-CD1 3.2Å; N521-I525 VanDerWaalsContact O-CG1 3.31Å; N521-I525 WeakPolarHBondContact O-CG1 3.25Å; N521-I525 PolarHBondContact O-N 3.45Å; L522-I525 PolarHBondContact O-N 3.04Å; L522-I525 VanDerWaalsContact O-N 3.13Å |
| 526 | N | 78.7 | Confident | 77.9 | Confident | 52 Ų | 52 | 57.1 Ų | 57.1 | 28% | 0.278 | 27% | 0.269 | S | S | . | . | trans | -152.1 | 103.4 | -179.1 | -172.1 | -29.4 | 0 | 0 | 0 | 110.7 | L522 D528 Q529 G530 | L522-N526 CarbonylContact O-C 3.57Å; L522-N526 PolarHBondContact O-N 3.5Å; L522-N526 VanDerWaalsContact O-O 3.12Å; N526-D528 VanDerWaalsContact C-N 3.3Å; N526-D528 PolarHBondContact O-N 2.96Å; N526-D528 PolarHBondContact OD1-N 2.72Å; N526-D528 VanDerWaalsContact OD1-N 3.14Å; N526-Q529 HydrophobicContact CB-CB 4.11Å; N526-Q529 HydrophobicContact CB-CG 4.29Å; N526-Q529 PolarHBondContact O-N 2.84Å; N526-Q529 PolarHBondContact OD1-N 3.11Å; N526-G530 PolarHBondContact O-N 3.18Å | ||
| 527 | P | 77.5 | Confident | 77.7 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.6 | -37.2 | -179.1 | -26.1 | 34.5 | 0 | 0 | 0 | 114.2 | G530 L531 L559 | P527-G530 CarbonylContact O-C 3.59Å; P527-G530 WeakPolarHBondContact O-CA 3.36Å; P527-G530 PolarHBondContact O-N 3.42Å; P527-G530 VanDerWaalsContact O-N 3.15Å; P527-L531 PolarHBondContact O-N 3.18Å; P527-L559 HydrophobicContact CB-CD1 4.16Å |
| 528 | D | 79.4 | Confident | 77.5 | Confident | 98 Ų | 98 | 50.8 Ų | 50.8 | 52% | 0.524 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -74.5 | -38.7 | -176.3 | -62.8 | -34.6 | 0 | 0 | 0 | 111.9 | N526 G530 L531 Q532 | N526-D528 VanDerWaalsContact C-N 3.3Å; N526-D528 PolarHBondContact O-N 2.96Å; N526-D528 PolarHBondContact OD1-N 2.72Å; N526-D528 VanDerWaalsContact OD1-N 3.14Å; D528-G530 PolarHBondContact O-N 3.03Å; D528-L531 WeakPolarHBondContact O-CB 3.35Å; D528-L531 PolarHBondContact O-N 3.38Å; D528-Q532 PolarHBondContact O-N 3.43Å; D528-Q532 VanDerWaalsContact O-N 3.14Å |
| 529 | Q | 75.7 | Confident | 77.3 | Confident | 92 Ų | 92 | 55 Ų | 55 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.8 | -30.3 | 169.1 | -68.4 | -175.2 | -8.4 | 0 | 0 | 110.9 | L522 N526 Q532 F533 | L522-Q529 HydrophobicContact CD2-CB 3.68Å; L522-Q529 WeakPolarHBondContact CD2-O 3.47Å; N526-Q529 HydrophobicContact CB-CB 4.11Å; N526-Q529 HydrophobicContact CB-CG 4.29Å; N526-Q529 PolarHBondContact O-N 2.84Å; N526-Q529 PolarHBondContact OD1-N 3.11Å; Q529-Q532 PolarHBondContact O-N 3.37Å; Q529-F533 WeakPolarHBondContact O-CB 3.47Å; Q529-F533 PolarHBondContact O-N 3.05Å |
| 530 | G | 80.5 | Confident | 76.3 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.3 | -48.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L519 N526 P527 D528 F533 A534 | L519-G530 WeakPolarHBondContact CD1-O 3.48Å; N526-G530 PolarHBondContact O-N 3.18Å; P527-G530 CarbonylContact O-C 3.59Å; P527-G530 WeakPolarHBondContact O-CA 3.36Å; P527-G530 PolarHBondContact O-N 3.42Å; P527-G530 VanDerWaalsContact O-N 3.15Å; D528-G530 PolarHBondContact O-N 3.03Å; G530-F533 PolarHBondContact O-N 3.41Å; G530-A534 WeakPolarHBondContact O-CB 3.37Å; G530-A534 PolarHBondContact O-N 2.79Å |
| 531 | L | 80.4 | Confident | 75.1 | Confident | 21 Ų | 21 | 61.6 Ų | 61.6 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.5 | -49.5 | 174.6 | 175.5 | 60.1 | 0 | 0 | 0 | 112 | P527 D528 F533 A534 Q535 Q562 F566 | P527-L531 PolarHBondContact O-N 3.18Å; D528-L531 WeakPolarHBondContact O-CB 3.35Å; D528-L531 PolarHBondContact O-N 3.38Å; L531-F533 VanDerWaalsContact C-N 3.31Å; L531-F533 PolarHBondContact O-N 2.72Å; L531-A534 PolarHBondContact O-N 2.94Å; L531-Q535 HydrophobicContact CD1-CG 4.25Å; L531-Q535 WeakPolarHBondContact O-CG 3.01Å; L531-Q535 PolarHBondContact O-N 2.78Å; L531-Q562 WeakPolarHBondContact CD1-O 3.44Å; L531-Q562 HydrophobicContact CD2-CB 4.48Å; L531-F566 HydrophobicContact CD1-CB 3.64Å |
| 532 | Q | 79.2 | Confident | 74 | Confident | 96 Ų | 96 | 66.4 Ų | 66.4 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 178.5 | -70.2 | -178.7 | 8.2 | 0 | 0 | 112.1 | D528 Q529 M536 | D528-Q532 PolarHBondContact O-N 3.43Å; D528-Q532 VanDerWaalsContact O-N 3.14Å; Q529-Q532 PolarHBondContact O-N 3.37Å; Q532-M536 WeakPolarHBondContact O-CG 3.31Å; Q532-M536 PolarHBondContact O-N 3.06Å; Q532-M536 VanDerWaalsContact O-N 3.13Å |
| 533 | F | 78.1 | Confident | 73.3 | Confident | 5 Ų | 5 | 69 Ų | 69 | 2% | 0.022 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 178 | -172 | -117.8 | 0 | 0 | 0 | 111.5 | F499 I503 Y515 L518 L519 L522 Q529 G530 L531 Q535 M536 L537 | F499-F533 HydrophobicContact CB-CD2 3.88Å; F499-F533 HydrophobicContact CB-CE2 4.1Å; I503-F533 HydrophobicContact CD1-CD2 3.93Å; I503-F533 HydrophobicContact CD1-CE2 3.73Å; I503-F533 HydrophobicContact CG1-CE2 4Å; Y515-F533 HydrophobicContact CD1-CZ 4.34Å; L518-F533 HydrophobicContact CB-CE1 4.07Å; L518-F533 HydrophobicContact CB-CZ 4.44Å; L519-F533 HydrophobicContact CB-CD1 4.36Å; L519-F533 HydrophobicContact CD1-CD1 4.02Å; L522-F533 HydrophobicContact CD2-CB 4.43Å; Q529-F533 WeakPolarHBondContact O-CB 3.47Å; Q529-F533 PolarHBondContact O-N 3.05Å; G530-F533 PolarHBondContact O-N 3.41Å; L531-F533 VanDerWaalsContact C-N 3.31Å; L531-F533 PolarHBondContact O-N 2.72Å; F533-Q535 PolarHBondContact O-N 3.36Å; F533-M536 PolarHBondContact O-N 2.85Å; F533-L537 HydrophobicContact CD1-CD1 4Å; F533-L537 HydrophobicContact CE1-CD1 3.81Å; F533-L537 HydrophobicContact CE1-CG 4.45Å; F533-L537 HydrophobicContact CZ-CD1 4.32Å; F533-L537 HydrophobicContact CZ-CD2 4.32Å; F533-L537 WeakPolarHBondContact O-CG 3.43Å; F533-L537 PolarHBondContact O-N 3.01Å; F533-L537 VanDerWaalsContact O-N 3.16Å |
| 534 | A | 80.6 | Confident | 72.8 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.1 | -46.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L519 G530 L531 M536 L537 V550 F554 F566 | L519-A534 HydrophobicContact CD1-CB 4Å; L519-A534 HydrophobicContact CD2-CB 4.35Å; G530-A534 WeakPolarHBondContact O-CB 3.37Å; G530-A534 PolarHBondContact O-N 2.79Å; L531-A534 PolarHBondContact O-N 2.94Å; A534-M536 VanDerWaalsContact C-N 3.32Å; A534-M536 PolarHBondContact O-N 2.84Å; A534-L537 WeakPolarHBondContact O-CB 3.35Å; A534-L537 PolarHBondContact O-N 3.4Å; A534-L537 VanDerWaalsContact O-N 3.14Å; A534-V550 HydrophobicContact CB-CG1 3.82Å; A534-F554 HydrophobicContact CB-CE2 3.92Å; A534-F554 HydrophobicContact CB-CZ 3.95Å; A534-F566 HydrophobicContact CB-CD2 3.73Å; A534-F566 HydrophobicContact CB-CE2 3.78Å |
| 535 | Q | 82.4 | Confident | 72.7 | Confident | 32 Ų | 32 | 63 Ų | 63 | 15% | 0.15 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.3 | -44 | 176.9 | -74.7 | 165.2 | -23.8 | 0 | 0 | 111.7 | L531 F533 L537 V538 Q539 F566 D569 | L531-Q535 HydrophobicContact CD1-CG 4.25Å; L531-Q535 WeakPolarHBondContact O-CG 3.01Å; L531-Q535 PolarHBondContact O-N 2.78Å; F533-Q535 PolarHBondContact O-N 3.36Å; Q535-L537 VanDerWaalsContact C-N 3.28Å; Q535-L537 PolarHBondContact O-N 2.9Å; Q535-V538 PolarHBondContact O-N 2.89Å; Q535-Q539 WeakPolarHBondContact O-CG 3.37Å; Q535-Q539 PolarHBondContact O-N 3.18Å; Q535-Q539 VanDerWaalsContact O-N 3.13Å; Q535-F566 HydrophobicContact CG-CD2 4.35Å; Q535-D569 VanDerWaalsContact CD-OD2 3.31Å; Q535-D569 HydrophobicContact CG-CB 4.42Å; Q535-D569 PolarHBondContact NE2-OD2 3.44Å |
| 536 | M | 75.1 | Confident | 72.8 | Confident | 43 Ų | 43 | 59.8 Ų | 59.8 | 21% | 0.212 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66 | -27.7 | 178.6 | -70.5 | -176.3 | 74.1 | 0 | 0 | 113.5 | Q500 I503 Q532 F533 A534 V538 | Q500-M536 HydrophobicContact CB-CE 3.93Å; Q500-M536 HydrophobicContact CB-SD 3.87Å; Q500-M536 HydrophobicContact CG-CE 4.37Å; Q500-M536 HydrophobicContact CG-SD 3.67Å; Q500-M536 WeakPolarHBondContact O-CE 3.44Å; I503-M536 HydrophobicContact CD1-CB 3.3Å; I503-M536 HydrophobicContact CD1-CE 4.48Å; I503-M536 HydrophobicContact CD1-CG 4.48Å; Q532-M536 WeakPolarHBondContact O-CG 3.31Å; Q532-M536 PolarHBondContact O-N 3.06Å; Q532-M536 VanDerWaalsContact O-N 3.13Å; F533-M536 PolarHBondContact O-N 2.85Å; A534-M536 VanDerWaalsContact C-N 3.32Å; A534-M536 PolarHBondContact O-N 2.84Å; M536-V538 VanDerWaalsContact C-N 3.28Å; M536-V538 PolarHBondContact O-N 3.17Å |
| 537 | L | 75.4 | Confident | 72.8 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.2 | -23.6 | 178.2 | -69.7 | 170 | 0 | 0 | 0 | 113.1 | I503 Y515 F533 A534 Q535 L544 V545 | I503-L537 HydrophobicContact CD1-CD2 3.68Å; I503-L537 HydrophobicContact CD1-CG 3.91Å; I503-L537 HydrophobicContact CG1-CD2 3.84Å; Y515-L537 HydrophobicContact CD1-CD2 3.25Å; Y515-L537 HydrophobicContact CD2-CD2 4.26Å; Y515-L537 HydrophobicContact CE1-CD2 3.59Å; Y515-L537 HydrophobicContact CG-CD2 3.6Å; F533-L537 HydrophobicContact CD1-CD1 4Å; F533-L537 HydrophobicContact CE1-CD1 3.81Å; F533-L537 HydrophobicContact CE1-CG 4.45Å; F533-L537 HydrophobicContact CZ-CD1 4.32Å; F533-L537 HydrophobicContact CZ-CD2 4.32Å; F533-L537 WeakPolarHBondContact O-CG 3.43Å; F533-L537 PolarHBondContact O-N 3.01Å; F533-L537 VanDerWaalsContact O-N 3.16Å; A534-L537 WeakPolarHBondContact O-CB 3.35Å; A534-L537 PolarHBondContact O-N 3.4Å; A534-L537 VanDerWaalsContact O-N 3.14Å; Q535-L537 VanDerWaalsContact C-N 3.28Å; Q535-L537 PolarHBondContact O-N 2.9Å; L537-L544 HydrophobicContact CD2-CB 4.48Å; L537-L544 HydrophobicContact CD2-CD1 4.35Å; L537-L544 PolarHBondContact O-N 3Å; L537-L544 VanDerWaalsContact O-N 3.17Å; L537-V545 HydrophobicContact CB-CG2 4.42Å; L537-V545 HydrophobicContact CD1-CG2 4.07Å; L537-V545 HydrophobicContact CD2-CG2 4.46Å |
| 538 | V | 73.2 | Confident | 73 | Confident | 20 Ų | 20 | 59.5 Ų | 59.5 | 12% | 0.121 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -103.2 | -23.9 | -175.2 | 178.3 | 0 | 0 | 0 | 0 | 112.7 | Q535 M536 D540 L547 F566 A570 | Q535-V538 PolarHBondContact O-N 2.89Å; M536-V538 VanDerWaalsContact C-N 3.28Å; M536-V538 PolarHBondContact O-N 3.17Å; V538-D540 PolarHBondContact O-N 2.92Å; V538-L547 HydrophobicContact CG1-CD2 3.87Å; V538-L547 HydrophobicContact CG2-CD2 3.97Å; V538-F566 HydrophobicContact CG2-CE2 3.78Å; V538-F566 HydrophobicContact CG2-CZ 3.73Å; V538-A570 HydrophobicContact CG1-CB 4.01Å |
| 539 | Q | 69.6 | Low | 73.1 | Confident | 119 Ų | 119 | 58.9 Ų | 58.9 | 56% | 0.556 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -62.7 | -12.5 | -174.8 | -86.2 | 179.1 | 8.6 | 0 | 0 | 116.1 | Q535 | Q535-Q539 WeakPolarHBondContact O-CG 3.37Å; Q535-Q539 PolarHBondContact O-N 3.18Å; Q535-Q539 VanDerWaalsContact O-N 3.13Å |
| 540 | D | 57.6 | Low | 73.4 | Confident | 72 Ų | 72 | 54.6 Ų | 54.6 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -87.1 | 161.8 | -178.7 | -116.1 | 43.8 | 0 | 0 | 0 | 113.8 | K507 V538 E542 | K507-D540 WeakPolarHBondContact CD-OD2 3.45Å; K507-D540 WeakPolarHBondContact CE-OD2 2.87Å; K507-D540 IonicContact NZ-OD1 2.58Å; K507-D540 PolarHBondContact NZ-OD1 3.44Å; K507-D540 IonicContact NZ-OD2 3.86Å; K507-D540 PolarHBondContact NZ-OD2 2.83Å; V538-D540 PolarHBondContact O-N 2.92Å; D540-E542 PolarHBondContact O-N 3.36Å; D540-E542 VanDerWaalsContact O-N 3.09Å |
| 541 | Q | 54.3 | Low | 73.5 | Confident | 189 Ų | 189 | 54.7 Ų | 54.7 | 88% | 0.883 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -54.3 | -32.9 | -174.8 | -77.8 | -174.9 | -5 | 0 | 0 | 113.3 | ||
| 542 | E | 54.3 | Low | 73.7 | Confident | 162 Ų | 162 | 56.3 Ų | 56.3 | 76% | 0.757 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -116.8 | 121.4 | 168.1 | -69.3 | -177.4 | 169 | 0 | 0 | 109.6 | D540 L544 | D540-E542 PolarHBondContact O-N 3.36Å; D540-E542 VanDerWaalsContact O-N 3.09Å; E542-L544 PolarHBondContact O-N 2.96Å |
| 543 | P | 61.3 | Low | 73.9 | Confident | 61 Ų | 61 | 51.9 Ų | 51.9 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | trans | -65.6 | 126.5 | 179.8 | 24.3 | -30.4 | 0 | 0 | 0 | 110.3 | V545 | P543-V545 PolarHBondContact O-N 2.96Š| ||
| 544 | L | 65.7 | Low | 74.3 | Confident | 53 Ų | 53 | 51.7 Ų | 51.7 | 28% | 0.277 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -74 | -12.3 | -174.7 | -67.7 | 168.2 | 0 | 0 | 0 | 113.4 | I503 Y515 L537 E542 | I503-L544 HydrophobicContact CG2-CD1 4.11Å; Y515-L544 HydrophobicContact CD2-CB 4.13Å; Y515-L544 HydrophobicContact CE2-CB 3.76Å; Y515-L544 HydrophobicContact CE2-CD1 4.29Å; Y515-L544 HydrophobicContact CE2-CD2 4.37Å; Y515-L544 HydrophobicContact CE2-CG 4.37Å; L537-L544 HydrophobicContact CD2-CB 4.48Å; L537-L544 HydrophobicContact CD2-CD1 4.35Å; L537-L544 PolarHBondContact O-N 3Å; L537-L544 VanDerWaalsContact O-N 3.17Å; E542-L544 PolarHBondContact O-N 2.96Å |
| 545 | V | 72.6 | Confident | 74.3 | Confident | 14 Ų | 14 | 54.7 Ų | 54.7 | 9% | 0.085 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -141.6 | 146.7 | -179.1 | -172.5 | 0 | 0 | 0 | 0 | 108.3 | Y515 I516 L537 P543 L547 V550 | Y515-V545 HydrophobicContact CD2-CG2 3.86Å; Y515-V545 HydrophobicContact CG-CG2 3.92Å; I516-V545 HydrophobicContact CD1-CG1 3.8Å; I516-V545 HydrophobicContact CG1-CG1 3.47Å; I516-V545 VanDerWaalsContact CG1-CG1 3.47Å; L537-V545 HydrophobicContact CB-CG2 4.42Å; L537-V545 HydrophobicContact CD1-CG2 4.07Å; L537-V545 HydrophobicContact CD2-CG2 4.46Å; P543-V545 PolarHBondContact O-N 2.96Å; V545-L547 PolarHBondContact O-N 3.42Å; V545-V550 HydrophobicContact CB-CG2 4.3Å; V545-V550 HydrophobicContact CG1-CG2 3.87Å |
| 546 | D | 77.5 | Confident | 74.1 | Confident | 79 Ų | 79 | 59 Ų | 59 | 42% | 0.422 | 30% | 0.297 | S | S | . | . | trans | -62 | 123.2 | 169.6 | -176.5 | 2.3 | 0 | 0 | 0 | 111 | E548 Q549 V550 | D546-E548 PolarHBondContact O-N 3.35Å; D546-E548 PolarHBondContact OD1-N 3.19Å; D546-E548 VanDerWaalsContact OD1-N 3.17Å; D546-Q549 HydrophobicContact CB-CG 4.08Å; D546-Q549 PolarHBondContact O-N 3.23Å; D546-Q549 VanDerWaalsContact O-N 3.12Å; D546-V550 PolarHBondContact O-N 3.37Å | ||
| 547 | L | 79.2 | Confident | 74.4 | Confident | 16 Ų | 16 | 60.4 Ų | 60.4 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -54.6 | -38.6 | 180 | -80.2 | 152.2 | 0 | 0 | 0 | 112 | V538 V545 Q549 V550 V551 F566 A570 L581 | V538-L547 HydrophobicContact CG1-CD2 3.87Å; V538-L547 HydrophobicContact CG2-CD2 3.97Å; V545-L547 PolarHBondContact O-N 3.42Å; L547-Q549 VanDerWaalsContact C-N 3.3Å; L547-Q549 PolarHBondContact O-N 2.91Å; L547-V550 PolarHBondContact O-N 3.15Å; L547-V551 WeakPolarHBondContact O-CG2 3.41Å; L547-V551 PolarHBondContact O-N 3.31Å; L547-F566 HydrophobicContact CD2-CE1 4.16Å; L547-F566 HydrophobicContact CD2-CZ 3.91Å; L547-A570 HydrophobicContact CD2-CB 3.61Å; L547-L581 HydrophobicContact CB-CD1 3.67Å; L547-L581 HydrophobicContact CD1-CD1 4.32Å; L547-L581 HydrophobicContact CG-CD1 4.47Å |
| 548 | E | 80.2 | Confident | 74.5 | Confident | 77 Ų | 77 | 63 Ų | 63 | 36% | 0.36 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 179.8 | -74.6 | -165.5 | 162 | 0 | 0 | 111.9 | D546 V550 V551 N552 H580 L581 | D546-E548 PolarHBondContact O-N 3.35Å; D546-E548 PolarHBondContact OD1-N 3.19Å; D546-E548 VanDerWaalsContact OD1-N 3.17Å; E548-V550 VanDerWaalsContact C-N 3.32Å; E548-V550 PolarHBondContact O-N 2.81Å; E548-V551 PolarHBondContact O-N 3.31Å; E548-N552 WeakPolarHBondContact O-CB 3.44Å; E548-N552 PolarHBondContact O-N 3.18Å; E548-N552 PolarHBondContact O-ND2 3.2Å; E548-H580 IonicContact OE1-CD2 3.21Å; E548-H580 PolarHBondContact OE1-CD2 3.03Å; E548-H580 IonicContact OE1-NE2 3.37Å; E548-H580 PolarHBondContact OE1-NE2 2.97Å; E548-H580 VanDerWaalsContact OE1-NE2 3.15Å; E548-L581 HydrophobicContact CG-CD2 4.22Å |
| 549 | Q | 81.6 | Confident | 75 | Confident | 85 Ų | 85 | 63.5 Ų | 63.5 | 40% | 0.397 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.9 | -35.3 | -178.4 | -60.5 | -173.2 | 34.9 | 0 | 0 | 111.3 | I516 D546 L547 V553 | I516-Q549 HydrophobicContact CD1-CB 4.38Å; D546-Q549 HydrophobicContact CB-CG 4.08Å; D546-Q549 PolarHBondContact O-N 3.23Å; D546-Q549 VanDerWaalsContact O-N 3.12Å; L547-Q549 VanDerWaalsContact C-N 3.3Å; L547-Q549 PolarHBondContact O-N 2.91Å; Q549-V553 VanDerWaalsContact O-CG2 3.3Å; Q549-V553 WeakPolarHBondContact O-CG2 2.95Å; Q549-V553 PolarHBondContact O-N 3.35Å |
| 550 | V | 82.2 | Confident | 75.6 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.9 | -45.8 | 174.7 | -179.9 | 0 | 0 | 0 | 0 | 111 | L519 A534 V545 D546 L547 E548 N552 V553 F554 F566 | L519-V550 HydrophobicContact CD2-CB 4.38Å; L519-V550 HydrophobicContact CD2-CG1 3.86Å; L519-V550 HydrophobicContact CD2-CG2 4.18Å; A534-V550 HydrophobicContact CB-CG1 3.82Å; V545-V550 HydrophobicContact CB-CG2 4.3Å; V545-V550 HydrophobicContact CG1-CG2 3.87Å; D546-V550 PolarHBondContact O-N 3.37Å; L547-V550 PolarHBondContact O-N 3.15Å; E548-V550 VanDerWaalsContact C-N 3.32Å; E548-V550 PolarHBondContact O-N 2.81Å; V550-N552 VanDerWaalsContact C-N 3.34Å; V550-N552 PolarHBondContact O-N 3.43Å; V550-V553 PolarHBondContact O-N 3.26Å; V550-F554 HydrophobicContact CG1-CD2 4.13Å; V550-F554 HydrophobicContact CG1-CE2 3.73Å; V550-F554 WeakPolarHBondContact O-CD2 3.05Å; V550-F554 PolarHBondContact O-N 3.03Å; V550-F566 HydrophobicContact CB-CE1 3.84Å; V550-F566 HydrophobicContact CB-CZ 3.76Å; V550-F566 HydrophobicContact CG1-CD1 3.97Å; V550-F566 HydrophobicContact CG1-CD2 4.28Å; V550-F566 HydrophobicContact CG1-CE1 3.41Å; V550-F566 VanDerWaalsContact CG1-CE1 3.41Å; V550-F566 HydrophobicContact CG1-CE2 3.78Å; V550-F566 HydrophobicContact CG1-CG 4.36Å; V550-F566 HydrophobicContact CG1-CZ 3.29Å; V550-F566 HydrophobicContact CG2-CZ 4.31Å |
| 551 | V | 81.9 | Confident | 76.8 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.5 | -45.8 | 175.7 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | L547 E548 V553 F554 M555 F566 L567 L581 | L547-V551 WeakPolarHBondContact O-CG2 3.41Å; L547-V551 PolarHBondContact O-N 3.31Å; E548-V551 PolarHBondContact O-N 3.31Å; V551-V553 VanDerWaalsContact C-N 3.31Å; V551-V553 PolarHBondContact O-N 3.36Å; V551-F554 PolarHBondContact O-N 3.25Å; V551-M555 HydrophobicContact CG1-CG 4.09Å; V551-M555 WeakPolarHBondContact O-CB 3.28Å; V551-M555 VanDerWaalsContact O-CG 3.27Å; V551-M555 WeakPolarHBondContact O-CG 3.39Å; V551-M555 PolarHBondContact O-N 3.18Å; V551-F566 HydrophobicContact CG2-CD1 4.36Å; V551-F566 HydrophobicContact CG2-CE1 4.13Å; V551-L567 HydrophobicContact CG2-CD1 4.3Å; V551-L567 HydrophobicContact CG2-CD2 3.69Å; V551-L567 HydrophobicContact CG2-CG 4.09Å; V551-L581 HydrophobicContact CG2-CD2 4.48Å |
| 552 | N | 84.7 | Confident | 78.2 | Confident | 55 Ų | 55 | 56.6 Ų | 56.6 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 177.7 | -68.9 | -24.7 | 0 | 0 | 0 | 111.6 | E548 V550 F554 M555 D556 R584 | E548-N552 WeakPolarHBondContact O-CB 3.44Å; E548-N552 PolarHBondContact O-N 3.18Å; E548-N552 PolarHBondContact O-ND2 3.2Å; V550-N552 VanDerWaalsContact C-N 3.34Å; V550-N552 PolarHBondContact O-N 3.43Å; N552-F554 PolarHBondContact O-N 3.28Å; N552-M555 PolarHBondContact O-N 3.19Å; N552-D556 VanDerWaalsContact O-CB 3.24Å; N552-D556 WeakPolarHBondContact O-CB 3.42Å; N552-D556 PolarHBondContact O-N 3.13Å; N552-R584 PolarHBondContact OD1-NH1 3.18Å; N552-R584 PolarHBondContact OD1-NH2 3.14Å |
| 553 | V | 84.8 | Confident | 79.6 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.024 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 175.9 | 168.6 | 0 | 0 | 0 | 0 | 112.6 | I516 L519 R520 T523 Q549 V550 V551 Q557 | I516-V553 HydrophobicContact CG2-CG2 4.44Å; L519-V553 HydrophobicContact CD2-CG1 4.37Å; L519-V553 HydrophobicContact CG-CG1 4.41Å; R520-V553 HydrophobicContact CG-CG1 4.02Å; R520-V553 HydrophobicContact CG-CG2 3.74Å; T523-V553 HydrophobicContact CG2-CG1 4.41Å; Q549-V553 VanDerWaalsContact O-CG2 3.3Å; Q549-V553 WeakPolarHBondContact O-CG2 2.95Å; Q549-V553 PolarHBondContact O-N 3.35Å; V550-V553 PolarHBondContact O-N 3.26Å; V551-V553 VanDerWaalsContact C-N 3.31Å; V551-V553 PolarHBondContact O-N 3.36Å; V553-Q557 WeakPolarHBondContact O-CG 3.4Å |
| 554 | F | 85.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.2 | -40.2 | 175.9 | -71.1 | -62.2 | 0 | 0 | 0 | 112.3 | T523 A534 V550 V551 N552 Q557 G558 L559 Q562 C563 F566 | T523-F554 HydrophobicContact CG2-CD1 4.45Å; T523-F554 HydrophobicContact CG2-CE1 3.83Å; T523-F554 HydrophobicContact CG2-CZ 4.41Å; A534-F554 HydrophobicContact CB-CE2 3.92Å; A534-F554 HydrophobicContact CB-CZ 3.95Å; V550-F554 HydrophobicContact CG1-CD2 4.13Å; V550-F554 HydrophobicContact CG1-CE2 3.73Å; V550-F554 WeakPolarHBondContact O-CD2 3.05Å; V550-F554 PolarHBondContact O-N 3.03Å; V551-F554 PolarHBondContact O-N 3.25Å; N552-F554 PolarHBondContact O-N 3.28Å; F554-Q557 CarbonylContact O-C 3.56Å; F554-Q557 PolarHBondContact O-N 3.39Å; F554-G558 PolarHBondContact O-N 3.31Å; F554-L559 HydrophobicContact CB-CB 4.45Å; F554-L559 HydrophobicContact CD1-CB 4.27Å; F554-L559 HydrophobicContact CD1-CD1 4.13Å; F554-L559 PolarHBondContact O-N 3.41Å; F554-Q562 HydrophobicContact CD1-CB 4.18Å; F554-Q562 HydrophobicContact CE1-CB 4.2Å; F554-C563 HydrophobicContact CB-CB 3.88Å; F554-F566 HydrophobicContact CE2-CB 4.15Å; F554-F566 HydrophobicContact CE2-CD1 4.39Å; F554-F566 HydrophobicContact CE2-CG 4.09Å |
| 555 | M | 80.6 | Confident | 81.6 | Confident | 64 Ų | 64 | 46.2 Ų | 46.2 | 32% | 0.315 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.1 | -42.4 | -179.2 | -69.1 | -62.8 | -75.7 | 0 | 0 | 112.6 | V551 N552 Q557 G558 M588 | V551-M555 HydrophobicContact CG1-CG 4.09Å; V551-M555 WeakPolarHBondContact O-CB 3.28Å; V551-M555 VanDerWaalsContact O-CG 3.27Å; V551-M555 WeakPolarHBondContact O-CG 3.39Å; V551-M555 PolarHBondContact O-N 3.18Å; N552-M555 PolarHBondContact O-N 3.19Å; M555-Q557 PolarHBondContact O-N 3.11Å; M555-Q557 VanDerWaalsContact O-N 3.14Å; M555-G558 PolarHBondContact O-N 2.89Å; M555-M588 HydrophobicContact CE-CG 4.43Å; M555-M588 HydrophobicContact CE-SD 3.96Å; M555-M588 HydrophobicContact SD-SD 3.5Å |
| 556 | D | 79.4 | Confident | 82.3 | Confident | 121 Ų | 121 | 45.6 Ų | 45.6 | 65% | 0.647 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -59.6 | -25.2 | 176.1 | -72.1 | -13.1 | 0 | 0 | 0 | 111.9 | N552 | N552-D556 VanDerWaalsContact O-CB 3.24Å; N552-D556 WeakPolarHBondContact O-CB 3.42Å; N552-D556 PolarHBondContact O-N 3.13Å |
| 557 | Q | 80.9 | Confident | 82.7 | Confident | 73 Ų | 73 | 42 Ų | 42 | 34% | 0.341 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 1.5 | 176.4 | -62.8 | -173.9 | 21.4 | 0 | 0 | 113.6 | T523 V553 F554 M555 L559 | T523-Q557 PolarHBondContact OG1-NE2 2.93Å; T523-Q557 VanDerWaalsContact OG1-NE2 3.14Å; V553-Q557 WeakPolarHBondContact O-CG 3.4Å; F554-Q557 CarbonylContact O-C 3.56Å; F554-Q557 PolarHBondContact O-N 3.39Å; M555-Q557 PolarHBondContact O-N 3.11Å; M555-Q557 VanDerWaalsContact O-N 3.14Å; Q557-L559 VanDerWaalsContact C-N 3.34Å; Q557-L559 HydrophobicContact CB-CD1 4.02Å; Q557-L559 HydrophobicContact CB-CG 4.1Å; Q557-L559 PolarHBondContact O-N 3.43Å |
| 558 | G | 78.4 | Confident | 82.9 | Confident | 55 Ų | 55 | 43.3 Ų | 43.3 | 57% | 0.567 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 18.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | F554 M555 V560 | F554-G558 PolarHBondContact O-N 3.31Å; M555-G558 PolarHBondContact O-N 2.89Å; G558-V560 PolarHBondContact O-N 3.31Å; G558-V560 VanDerWaalsContact O-N 3.14Å |
| 559 | L | 82.2 | Confident | 82.9 | Confident | 32 Ų | 32 | 43 Ų | 43 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | trans | -89.4 | 65.3 | -172.9 | -63.6 | 172.8 | 0 | 0 | 0 | 112.3 | P527 F554 Q557 Q561 Q562 C563 | P527-L559 HydrophobicContact CB-CD1 4.16Å; F554-L559 HydrophobicContact CB-CB 4.45Å; F554-L559 HydrophobicContact CD1-CB 4.27Å; F554-L559 HydrophobicContact CD1-CD1 4.13Å; F554-L559 PolarHBondContact O-N 3.41Å; Q557-L559 VanDerWaalsContact C-N 3.34Å; Q557-L559 HydrophobicContact CB-CD1 4.02Å; Q557-L559 HydrophobicContact CB-CG 4.1Å; Q557-L559 PolarHBondContact O-N 3.43Å; L559-Q561 PolarHBondContact O-N 2.85Å; L559-Q562 HydrophobicContact CB-CB 4.34Å; L559-Q562 PolarHBondContact O-N 3.16Å; L559-C563 VanDerWaalsContact O-CB 3.28Å; L559-C563 WeakPolarHBondContact O-CB 3.49Å; L559-C563 PolarHBondContact O-N 3.31Å | ||
| 560 | V | 82.5 | Confident | 82.8 | Confident | 47 Ų | 47 | 39.5 Ų | 39.5 | 29% | 0.285 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.5 | -41.6 | -174.6 | 176.1 | 0 | 0 | 0 | 0 | 112.7 | G558 C563 T564 M588 | G558-V560 PolarHBondContact O-N 3.31Å; G558-V560 VanDerWaalsContact O-N 3.14Å; V560-C563 WeakPolarHBondContact O-CB 3.28Å; V560-C563 PolarHBondContact O-N 2.82Å; V560-T564 PolarHBondContact O-N 3.06Å; V560-T564 PolarHBondContact O-OG1 3.37Å; V560-M588 HydrophobicContact CB-SD 4.45Å; V560-M588 HydrophobicContact CG1-CE 3.93Å; V560-M588 HydrophobicContact CG1-CG 3.97Å; V560-M588 HydrophobicContact CG1-SD 3.81Å; V560-M588 HydrophobicContact CG2-SD 4.39Å |
| 561 | Q | 82.9 | Confident | 82.7 | Confident | 155 Ų | 155 | 39.4 Ų | 39.4 | 72% | 0.724 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -65.9 | -44.6 | -178 | -172.6 | 179.7 | 6.9 | 0 | 0 | 112 | L559 T564 S565 | L559-Q561 PolarHBondContact O-N 2.85Å; Q561-T564 PolarHBondContact O-N 2.96Å; Q561-S565 PolarHBondContact O-N 3.49Å |
| 562 | Q | 83.6 | Confident | 82.7 | Confident | 33 Ų | 33 | 44.5 Ų | 44.5 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.4 | -39.7 | 176.3 | -65.1 | 77.5 | 4.9 | 0 | 0 | 110.7 | L531 F554 L559 S565 F566 | L531-Q562 WeakPolarHBondContact CD1-O 3.44Å; L531-Q562 HydrophobicContact CD2-CB 4.48Å; F554-Q562 HydrophobicContact CD1-CB 4.18Å; F554-Q562 HydrophobicContact CE1-CB 4.2Å; L559-Q562 HydrophobicContact CB-CB 4.34Å; L559-Q562 PolarHBondContact O-N 3.16Å; Q562-S565 PolarHBondContact O-N 2.94Å; Q562-F566 WeakPolarHBondContact O-CB 3.44Å; Q562-F566 PolarHBondContact O-N 3.04Å |
| 563 | C | 84.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 174.4 | -168.2 | 0 | 0 | 0 | 0 | 111.8 | F554 L559 V560 S565 F566 L567 M588 | F554-C563 HydrophobicContact CB-CB 3.88Å; L559-C563 VanDerWaalsContact O-CB 3.28Å; L559-C563 WeakPolarHBondContact O-CB 3.49Å; L559-C563 PolarHBondContact O-N 3.31Å; V560-C563 WeakPolarHBondContact O-CB 3.28Å; V560-C563 PolarHBondContact O-N 2.82Å; C563-S565 PolarHBondContact O-N 3.4Å; C563-F566 PolarHBondContact O-N 3.22Å; C563-L567 WeakPolarHBondContact O-CB 3.3Å; C563-L567 WeakPolarHBondContact O-CG 3.39Å; C563-L567 PolarHBondContact O-N 3.36Å; C563-M588 HydrophobicContact CB-CE 4.37Å; C563-M588 HydrophobicContact CB-SD 4.49Å |
| 564 | T | 84.8 | Confident | 82.3 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.7 | -47.8 | 174.8 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | V560 Q561 F566 L567 L568 L585 M588 N589 V596 | V560-T564 PolarHBondContact O-N 3.06Å; V560-T564 PolarHBondContact O-OG1 3.37Å; Q561-T564 PolarHBondContact O-N 2.96Å; T564-F566 VanDerWaalsContact C-N 3.33Å; T564-F566 PolarHBondContact O-N 2.97Å; T564-L567 PolarHBondContact O-N 2.93Å; T564-L568 HydrophobicContact CG2-CD1 4.09Å; T564-L568 HydrophobicContact CG2-CG 4.4Å; T564-L568 VanDerWaalsContact O-CG 3.29Å; T564-L568 WeakPolarHBondContact O-CG 3.29Å; T564-L568 PolarHBondContact O-N 3.48Å; T564-L585 HydrophobicContact CG2-CD1 4.15Å; T564-M588 WeakPolarHBondContact OG1-CE 3.35Å; T564-N589 PolarHBondContact OG1-ND2 3.06Å; T564-N589 VanDerWaalsContact OG1-ND2 3.17Å; T564-N589 PolarHBondContact OG1-OD1 3.35Å; T564-N589 VanDerWaalsContact OG1-OD1 3.13Å; T564-V596 HydrophobicContact CG2-CG1 4.25Å |
| 565 | S | 84.1 | Confident | 82 | Confident | 46 Ų | 46 | 53.9 Ų | 53.9 | 32% | 0.322 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 177.9 | -174.4 | 0 | 0 | 0 | 0 | 112.6 | Q561 Q562 C563 D569 | Q561-S565 PolarHBondContact O-N 3.49Å; Q562-S565 PolarHBondContact O-N 2.94Å; C563-S565 PolarHBondContact O-N 3.4Å; S565-D569 PolarHBondContact O-N 3.05Å |
| 566 | F | 86.3 | Confident | 82 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.7 | -48.1 | 177.4 | 170.5 | -107.1 | 0 | 0 | 0 | 111.3 | L531 A534 Q535 V538 L547 V550 V551 F554 Q562 C563 T564 L568 D569 A570 | L531-F566 HydrophobicContact CD1-CB 3.64Å; A534-F566 HydrophobicContact CB-CD2 3.73Å; A534-F566 HydrophobicContact CB-CE2 3.78Å; Q535-F566 HydrophobicContact CG-CD2 4.35Å; V538-F566 HydrophobicContact CG2-CE2 3.78Å; V538-F566 HydrophobicContact CG2-CZ 3.73Å; L547-F566 HydrophobicContact CD2-CE1 4.16Å; L547-F566 HydrophobicContact CD2-CZ 3.91Å; V550-F566 HydrophobicContact CB-CE1 3.84Å; V550-F566 HydrophobicContact CB-CZ 3.76Å; V550-F566 HydrophobicContact CG1-CD1 3.97Å; V550-F566 HydrophobicContact CG1-CD2 4.28Å; V550-F566 HydrophobicContact CG1-CE1 3.41Å; V550-F566 VanDerWaalsContact CG1-CE1 3.41Å; V550-F566 HydrophobicContact CG1-CE2 3.78Å; V550-F566 HydrophobicContact CG1-CG 4.36Å; V550-F566 HydrophobicContact CG1-CZ 3.29Å; V550-F566 HydrophobicContact CG2-CZ 4.31Å; V551-F566 HydrophobicContact CG2-CD1 4.36Å; V551-F566 HydrophobicContact CG2-CE1 4.13Å; F554-F566 HydrophobicContact CE2-CB 4.15Å; F554-F566 HydrophobicContact CE2-CD1 4.39Å; F554-F566 HydrophobicContact CE2-CG 4.09Å; Q562-F566 WeakPolarHBondContact O-CB 3.44Å; Q562-F566 PolarHBondContact O-N 3.04Å; C563-F566 PolarHBondContact O-N 3.22Å; T564-F566 VanDerWaalsContact C-N 3.33Å; T564-F566 PolarHBondContact O-N 2.97Å; F566-L568 PolarHBondContact O-N 3.24Å; F566-D569 PolarHBondContact O-N 3.4Å; F566-A570 HydrophobicContact CE1-CB 4.45Å; F566-A570 HydrophobicContact CZ-CB 4.32Å; F566-A570 VanDerWaalsContact O-CB 3.27Å; F566-A570 WeakPolarHBondContact O-CB 3.45Å; F566-A570 PolarHBondContact O-N 3.5Å |
| 567 | L | 85.9 | Confident | 81.9 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.1 | -37 | -179.1 | -79.9 | 168.2 | 0 | 0 | 0 | 112.5 | V551 C563 T564 D569 A570 L571 L581 L585 | V551-L567 HydrophobicContact CG2-CD1 4.3Å; V551-L567 HydrophobicContact CG2-CD2 3.69Å; V551-L567 HydrophobicContact CG2-CG 4.09Å; C563-L567 WeakPolarHBondContact O-CB 3.3Å; C563-L567 WeakPolarHBondContact O-CG 3.39Å; C563-L567 PolarHBondContact O-N 3.36Å; T564-L567 PolarHBondContact O-N 2.93Å; L567-D569 VanDerWaalsContact C-N 3.32Å; L567-D569 PolarHBondContact O-N 3.17Å; L567-A570 PolarHBondContact O-N 3.17Å; L567-L571 HydrophobicContact CB-CD1 4.33Å; L567-L571 HydrophobicContact CD2-CD1 3.94Å; L567-L571 HydrophobicContact CD2-CG 4.36Å; L567-L571 VanDerWaalsContact O-CB 3.23Å; L567-L571 WeakPolarHBondContact O-CB 3.41Å; L567-L571 VanDerWaalsContact O-CG 3.26Å; L567-L571 WeakPolarHBondContact O-CG 3.41Å; L567-L571 PolarHBondContact O-N 2.84Å; L567-L581 HydrophobicContact CD2-CB 4.37Å; L567-L585 HydrophobicContact CB-CD1 3.8Å; L567-L585 HydrophobicContact CB-CD2 4.2Å; L567-L585 HydrophobicContact CB-CG 4.4Å; L567-L585 HydrophobicContact CD1-CB 4.11Å; L567-L585 HydrophobicContact CD1-CD1 3.91Å |
| 568 | L | 83.6 | Confident | 82 | Confident | 45 Ų | 45 | 51.2 Ų | 51.2 | 24% | 0.236 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.7 | -42 | 175.1 | -73.6 | 174.4 | 0 | 0 | 0 | 112.3 | T564 F566 L585 I600 M605 F606 | T564-L568 HydrophobicContact CG2-CD1 4.09Å; T564-L568 HydrophobicContact CG2-CG 4.4Å; T564-L568 VanDerWaalsContact O-CG 3.29Å; T564-L568 WeakPolarHBondContact O-CG 3.29Å; T564-L568 PolarHBondContact O-N 3.48Å; F566-L568 PolarHBondContact O-N 3.24Å; L568-L585 HydrophobicContact CD2-CD2 4.18Å; L568-I600 HydrophobicContact CD2-CD1 4.02Å; L568-I600 HydrophobicContact CD2-CG1 4.02Å; L568-M605 HydrophobicContact CD2-CE 4.22Å; L568-M605 HydrophobicContact CD2-SD 4.31Å; L568-F606 HydrophobicContact CD2-CE2 3.92Å; L568-F606 HydrophobicContact CD2-CZ 3.94Å |
| 569 | D | 81.1 | Confident | 82.2 | Confident | 70 Ų | 70 | 49 Ų | 49 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -75.5 | -39.8 | 177.1 | -78.6 | -25.7 | 0 | 0 | 0 | 112.7 | Q535 S565 F566 L567 K572 | Q535-D569 VanDerWaalsContact CD-OD2 3.31Å; Q535-D569 HydrophobicContact CG-CB 4.42Å; Q535-D569 PolarHBondContact NE2-OD2 3.44Å; S565-D569 PolarHBondContact O-N 3.05Å; F566-D569 PolarHBondContact O-N 3.4Å; L567-D569 VanDerWaalsContact C-N 3.32Å; L567-D569 PolarHBondContact O-N 3.17Å; D569-K572 WeakPolarHBondContact O-CB 3.22Å; D569-K572 WeakPolarHBondContact O-CD 3.34Å; D569-K572 VanDerWaalsContact O-CG 3.3Å; D569-K572 WeakPolarHBondContact O-CG 3.34Å |
| 570 | A | 78.8 | Confident | 82.4 | Confident | 11 Ų | 11 | 52 Ų | 52 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.2 | -40.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | V538 L547 F566 L567 K572 | V538-A570 HydrophobicContact CG1-CB 4.01Å; L547-A570 HydrophobicContact CD2-CB 3.61Å; F566-A570 HydrophobicContact CE1-CB 4.45Å; F566-A570 HydrophobicContact CZ-CB 4.32Å; F566-A570 VanDerWaalsContact O-CB 3.27Å; F566-A570 WeakPolarHBondContact O-CB 3.45Å; F566-A570 PolarHBondContact O-N 3.5Å; L567-A570 PolarHBondContact O-N 3.17Å; A570-K572 VanDerWaalsContact C-N 3.35Å |
| 571 | L | 81.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 6.1 | -175.5 | -59.4 | 173.8 | 0 | 0 | 0 | 113.1 | L567 H573 N574 E578 L581 Q582 L585 F606 | L567-L571 HydrophobicContact CB-CD1 4.33Å; L567-L571 HydrophobicContact CD2-CD1 3.94Å; L567-L571 HydrophobicContact CD2-CG 4.36Å; L567-L571 VanDerWaalsContact O-CB 3.23Å; L567-L571 WeakPolarHBondContact O-CB 3.41Å; L567-L571 VanDerWaalsContact O-CG 3.26Å; L567-L571 WeakPolarHBondContact O-CG 3.41Å; L567-L571 PolarHBondContact O-N 2.84Å; L571-H573 PolarHBondContact O-N 3.33Å; L571-N574 WeakPolarHBondContact O-CA 3.47Å; L571-N574 PolarHBondContact O-N 2.76Å; L571-E578 HydrophobicContact CD2-CB 3.57Å; L571-E578 HydrophobicContact CD2-CG 4.17Å; L571-L581 HydrophobicContact CD1-CB 4.23Å; L571-L581 HydrophobicContact CD2-CB 4.1Å; L571-L581 HydrophobicContact CD2-CD1 4.47Å; L571-Q582 HydrophobicContact CD1-CG 3.96Å; L571-Q582 HydrophobicContact CD2-CG 4.4Å; L571-L585 HydrophobicContact CD1-CD2 4.31Å; L571-F606 HydrophobicContact CB-CD1 4.03Å; L571-F606 HydrophobicContact CB-CE1 3.35Å; L571-F606 HydrophobicContact CB-CZ 3.95Å; L571-F606 WeakPolarHBondContact O-CE1 3.39Å |
| 572 | K | 80.4 | Confident | 82.8 | Confident | 109 Ų | 109 | 42.6 Ų | 42.6 | 47% | 0.474 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -23.6 | -174.4 | 73.9 | -175.5 | -179.8 | -173.4 | 0 | 115 | D569 A570 N574 | D569-K572 WeakPolarHBondContact O-CB 3.22Å; D569-K572 WeakPolarHBondContact O-CD 3.34Å; D569-K572 VanDerWaalsContact O-CG 3.3Å; D569-K572 WeakPolarHBondContact O-CG 3.34Å; A570-K572 VanDerWaalsContact C-N 3.35Å; K572-N574 VanDerWaalsContact C-N 3.35Å |
| 573 | H | 80.4 | Confident | 82.9 | Confident | 117 Ų | 117 | 41.8 Ų | 41.8 | 54% | 0.542 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -1.9 | 179 | -66.3 | -56.4 | 0 | 0 | 0 | 113.5 | L571 R575 | L571-H573 PolarHBondContact O-N 3.33Å; H573-R575 HydrophobicContact CB-CG 4.16Å; H573-R575 PolarHBondContact O-N 3.16Å |
| 574 | N | 81.2 | Confident | 82.9 | Confident | 40 Ų | 40 | 46.1 Ų | 46.1 | 21% | 0.214 | 24% | 0.24 | C | C | . | . | trans | 48.6 | 57.4 | 173.4 | -172 | 23.1 | 0 | 0 | 0 | 112.8 | L571 K572 Q582 F606 S607 H608 | L571-N574 WeakPolarHBondContact O-CA 3.47Å; L571-N574 PolarHBondContact O-N 2.76Å; K572-N574 VanDerWaalsContact C-N 3.35Å; N574-Q582 PolarHBondContact OD1-NE2 3.17Å; N574-Q582 PolarHBondContact OD1-OE1 3.34Å; N574-F606 WeakPolarHBondContact OD1-CA 3.5Å; N574-S607 WeakPolarHBondContact ND2-CB 3.09Å; N574-S607 PolarHBondContact ND2-N 3.08Å; N574-S607 PolarHBondContact ND2-OG 2.99Å; N574-S607 PolarHBondContact OD1-N 3.46Å; N574-S607 PolarHBondContact OD1-OG 3.32Å; N574-H608 PolarHBondContact O-CD2 2.91Å; N574-H608 PolarHBondContact O-NE2 3.46Å; N574-H608 PolarHBondContact OD1-CD2 2.69Å | ||
| 575 | R | 80 | Confident | 83 | Confident | 98 Ų | 98 | 45.6 Ų | 45.6 | 37% | 0.37 | 24% | 0.236 | S | C | . | . | trans | -87.1 | 141.8 | -175 | -63.2 | 172.3 | 175.7 | 169.3 | -3.9 | 111.7 | H573 S577 E578 | H573-R575 HydrophobicContact CB-CG 4.16Å; H573-R575 PolarHBondContact O-N 3.16Å; R575-S577 VanDerWaalsContact C-N 3.33Å; R575-S577 PolarHBondContact O-N 3.37Å; R575-E578 HydrophobicContact CB-CG 4.29Å; R575-E578 WeakPolarHBondContact CD-OE1 3.18Å; R575-E578 IonicContact NH1-OE1 2.82Å; R575-E578 PolarHBondContact O-N 2.8Å; R575-E578 VanDerWaalsContact O-N 3.13Å | ||
| 576 | P | 79.1 | Confident | 83.1 | Confident | 93 Ų | 93 | 43.4 Ų | 43.4 | 60% | 0.604 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -59.4 | -36.7 | 179.3 | -20.4 | 26.4 | 0 | 0 | 0 | 114.7 | E578 G579 | P576-E578 PolarHBondContact O-N 3.18Å; P576-G579 PolarHBondContact O-N 3.48Å; P576-G579 VanDerWaalsContact O-N 3.15Å |
| 577 | S | 78.5 | Confident | 83.1 | Confident | 93 Ų | 93 | 46.6 Ų | 46.6 | 65% | 0.65 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -62.1 | -22.3 | 178.9 | 50.2 | 0 | 0 | 0 | 0 | 113.3 | R575 H580 | R575-S577 VanDerWaalsContact C-N 3.33Å; R575-S577 PolarHBondContact O-N 3.37Å; S577-H580 PolarHBondContact O-ND1 3.45Å |
| 578 | E | 82.1 | Confident | 83.1 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 8% | 0.075 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -97.2 | 8.4 | -177.3 | -60.4 | 163.5 | -178.5 | 0 | 0 | 111.9 | L571 R575 P576 H580 L581 Q582 | L571-E578 HydrophobicContact CD2-CB 3.57Å; L571-E578 HydrophobicContact CD2-CG 4.17Å; R575-E578 HydrophobicContact CB-CG 4.29Å; R575-E578 WeakPolarHBondContact CD-OE1 3.18Å; R575-E578 IonicContact NH1-OE1 2.82Å; R575-E578 PolarHBondContact O-N 2.8Å; R575-E578 VanDerWaalsContact O-N 3.13Å; P576-E578 PolarHBondContact O-N 3.18Å; E578-H580 VanDerWaalsContact C-N 3.31Å; E578-H580 PolarHBondContact O-N 3.25Å; E578-L581 WeakPolarHBondContact O-CB 3.35Å; E578-L581 PolarHBondContact O-N 3.02Å; E578-Q582 PolarHBondContact O-N 2.99Å; E578-Q582 VanDerWaalsContact O-N 3.11Å |
| 579 | G | 83.6 | Confident | 83.1 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 8% | 0.082 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.4 | -39.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P576 L581 Q582 T583 H608 | P576-G579 PolarHBondContact O-N 3.48Å; P576-G579 VanDerWaalsContact O-N 3.15Å; G579-L581 VanDerWaalsContact C-N 3.32Å; G579-L581 PolarHBondContact O-N 3.39Å; G579-Q582 WeakPolarHBondContact O-CB 3.44Å; G579-Q582 PolarHBondContact O-N 3.06Å; G579-T583 PolarHBondContact O-N 3.37Å; G579-T583 PolarHBondContact O-OG1 3.2Å; G579-H608 VanDerWaalsContact CA-O 3.29Å; G579-H608 WeakPolarHBondContact CA-O 3.27Å |
| 580 | H | 86.1 | Confident | 83.3 | Confident | 97 Ų | 97 | 42.6 Ų | 42.6 | 45% | 0.449 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.8 | -34.3 | 175.8 | 67.4 | -71.6 | 0 | 0 | 0 | 113.2 | E548 S577 E578 R584 | E548-H580 IonicContact OE1-CD2 3.21Å; E548-H580 PolarHBondContact OE1-CD2 3.03Å; E548-H580 IonicContact OE1-NE2 3.37Å; E548-H580 PolarHBondContact OE1-NE2 2.97Å; E548-H580 VanDerWaalsContact OE1-NE2 3.15Å; S577-H580 PolarHBondContact O-ND1 3.45Å; E578-H580 VanDerWaalsContact C-N 3.31Å; E578-H580 PolarHBondContact O-N 3.25Å; H580-R584 WeakPolarHBondContact O-CB 3.3Å; H580-R584 PolarHBondContact O-N 3.39Å |
| 581 | L | 85.3 | Confident | 83.5 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.4 | -35.3 | 174.6 | -65.5 | 176.5 | 0 | 0 | 0 | 111.9 | L547 E548 V551 L567 L571 E578 G579 R584 L585 | L547-L581 HydrophobicContact CB-CD1 3.67Å; L547-L581 HydrophobicContact CD1-CD1 4.32Å; L547-L581 HydrophobicContact CG-CD1 4.47Å; E548-L581 HydrophobicContact CG-CD2 4.22Å; V551-L581 HydrophobicContact CG2-CD2 4.48Å; L567-L581 HydrophobicContact CD2-CB 4.37Å; L571-L581 HydrophobicContact CD1-CB 4.23Å; L571-L581 HydrophobicContact CD2-CB 4.1Å; L571-L581 HydrophobicContact CD2-CD1 4.47Å; E578-L581 WeakPolarHBondContact O-CB 3.35Å; E578-L581 PolarHBondContact O-N 3.02Å; G579-L581 VanDerWaalsContact C-N 3.32Å; G579-L581 PolarHBondContact O-N 3.39Å; L581-R584 PolarHBondContact O-N 3.21Å; L581-L585 WeakPolarHBondContact O-CB 3.45Å; L581-L585 PolarHBondContact O-N 3.16Å |
| 582 | Q | 87.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.6 | -45 | 172 | -61.7 | 178.2 | 11.2 | 0 | 0 | 110.7 | L571 N574 E578 G579 R584 L585 L586 F606 Y609 | L571-Q582 HydrophobicContact CD1-CG 3.96Å; L571-Q582 HydrophobicContact CD2-CG 4.4Å; N574-Q582 PolarHBondContact OD1-NE2 3.17Å; N574-Q582 PolarHBondContact OD1-OE1 3.34Å; E578-Q582 PolarHBondContact O-N 2.99Å; E578-Q582 VanDerWaalsContact O-N 3.11Å; G579-Q582 WeakPolarHBondContact O-CB 3.44Å; G579-Q582 PolarHBondContact O-N 3.06Å; Q582-R584 PolarHBondContact O-N 2.86Å; Q582-L585 PolarHBondContact O-N 3.46Å; Q582-L586 WeakPolarHBondContact O-CG 3.21Å; Q582-L586 PolarHBondContact O-N 3.4Å; Q582-F606 HydrophobicContact CB-CB 4.46Å; Q582-F606 HydrophobicContact CG-CB 4.24Å; Q582-F606 HydrophobicContact CG-CD1 4.21Å; Q582-F606 HydrophobicContact CG-CG 4.25Å; Q582-Y609 HydrophobicContact CB-CD1 4.28Å |
| 583 | T | 87.6 | Confident | 83.4 | Confident | 16 Ų | 16 | 48.2 Ų | 48.2 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.4 | -50.6 | 173.7 | -53.5 | 0 | 0 | 0 | 0 | 110.5 | G579 L585 L586 E587 Y609 D610 I614 | G579-T583 PolarHBondContact O-N 3.37Å; G579-T583 PolarHBondContact O-OG1 3.2Å; T583-L585 VanDerWaalsContact C-N 3.33Å; T583-L585 PolarHBondContact O-N 3.1Å; T583-L586 PolarHBondContact O-N 3.23Å; T583-L586 VanDerWaalsContact O-N 3.13Å; T583-E587 HydrophobicContact CG2-CG 4.14Å; T583-E587 WeakPolarHBondContact O-CG 3.18Å; T583-E587 PolarHBondContact O-N 2.85Å; T583-Y609 WeakPolarHBondContact OG1-CA 3.33Å; T583-Y609 WeakPolarHBondContact OG1-CB 3.3Å; T583-D610 HydrophobicContact CG2-CB 4.01Å; T583-D610 PolarHBondContact OG1-N 3.11Å; T583-I614 HydrophobicContact CG2-CD1 4.48Å |
| 584 | R | 84.1 | Confident | 83.5 | Confident | 92 Ų | 92 | 44.9 Ų | 44.9 | 35% | 0.347 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.4 | -37.3 | -177.9 | -165.3 | 170.5 | -177.8 | -174.2 | -4.5 | 113 | N552 H580 L581 Q582 M588 | N552-R584 PolarHBondContact OD1-NH1 3.18Å; N552-R584 PolarHBondContact OD1-NH2 3.14Å; H580-R584 WeakPolarHBondContact O-CB 3.3Å; H580-R584 PolarHBondContact O-N 3.39Å; L581-R584 PolarHBondContact O-N 3.21Å; Q582-R584 PolarHBondContact O-N 2.86Å; R584-M588 VanDerWaalsContact O-CB 3.25Å; R584-M588 WeakPolarHBondContact O-CB 3.28Å; R584-M588 PolarHBondContact O-N 2.68Å |
| 585 | L | 86.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 173.7 | 174.4 | 62.9 | 0 | 0 | 0 | 111.2 | T564 L567 L568 L571 L581 Q582 T583 M588 N589 F606 | T564-L585 HydrophobicContact CG2-CD1 4.15Å; L567-L585 HydrophobicContact CB-CD1 3.8Å; L567-L585 HydrophobicContact CB-CD2 4.2Å; L567-L585 HydrophobicContact CB-CG 4.4Å; L567-L585 HydrophobicContact CD1-CB 4.11Å; L567-L585 HydrophobicContact CD1-CD1 3.91Å; L568-L585 HydrophobicContact CD2-CD2 4.18Å; L571-L585 HydrophobicContact CD1-CD2 4.31Å; L581-L585 WeakPolarHBondContact O-CB 3.45Å; L581-L585 PolarHBondContact O-N 3.16Å; Q582-L585 PolarHBondContact O-N 3.46Å; T583-L585 VanDerWaalsContact C-N 3.33Å; T583-L585 PolarHBondContact O-N 3.1Å; L585-M588 HydrophobicContact CD1-CE 4.38Å; L585-N589 WeakPolarHBondContact CD1-ND2 3.24Å; L585-N589 PolarHBondContact O-N 3.2Å; L585-N589 PolarHBondContact O-ND2 3.26Å; L585-F606 HydrophobicContact CD2-CD2 4.19Å; L585-F606 HydrophobicContact CD2-CE2 3.4Å; L585-F606 HydrophobicContact CD2-CZ 3.89Å |
| 586 | L | 86.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.1 | -43.9 | -177.8 | -69.7 | 171.4 | 0 | 0 | 0 | 111.4 | Q582 T583 M588 N589 L590 I600 L601 Y609 I614 | Q582-L586 WeakPolarHBondContact O-CG 3.21Å; Q582-L586 PolarHBondContact O-N 3.4Å; T583-L586 PolarHBondContact O-N 3.23Å; T583-L586 VanDerWaalsContact O-N 3.13Å; L586-M588 PolarHBondContact O-N 3.46Å; L586-N589 PolarHBondContact O-N 2.98Å; L586-L590 WeakPolarHBondContact O-CB 3.48Å; L586-L590 VanDerWaalsContact O-CG 3.29Å; L586-L590 WeakPolarHBondContact O-CG 3.2Å; L586-L590 PolarHBondContact O-N 2.91Å; L586-I600 HydrophobicContact CD2-CB 4.35Å; L586-I600 HydrophobicContact CD2-CG2 3.82Å; L586-L601 HydrophobicContact CD1-CD2 4.03Å; L586-L601 HydrophobicContact CD2-CD2 3.91Å; L586-L601 HydrophobicContact CD2-CG 4.01Å; L586-Y609 HydrophobicContact CD1-CD1 3.56Å; L586-Y609 HydrophobicContact CD1-CD2 3.58Å; L586-Y609 HydrophobicContact CD1-CE1 3.73Å; L586-Y609 HydrophobicContact CD1-CE2 3.73Å; L586-Y609 HydrophobicContact CD1-CG 3.48Å; L586-Y609 VanDerWaalsContact CD1-CG 3.48Å; L586-I614 HydrophobicContact CB-CD1 3.48Å; L586-I614 VanDerWaalsContact CB-CD1 3.48Å; L586-I614 HydrophobicContact CB-CG1 4.09Å; L586-I614 HydrophobicContact CD1-CD1 4.33Å; L586-I614 HydrophobicContact CD1-CG1 4Å; L586-I614 HydrophobicContact CD1-CG2 4.28Å |
| 587 | E | 86.5 | Confident | 83.8 | Confident | 68 Ų | 68 | 43.8 Ų | 43.8 | 32% | 0.318 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.6 | -48.2 | 175.9 | -73.2 | 180 | 159.9 | 0 | 0 | 112 | T583 N589 L590 M591 I614 L617 | T583-E587 HydrophobicContact CG2-CG 4.14Å; T583-E587 WeakPolarHBondContact O-CG 3.18Å; T583-E587 PolarHBondContact O-N 2.85Å; E587-N589 VanDerWaalsContact C-N 3.33Å; E587-N589 PolarHBondContact O-N 3.38Å; E587-L590 PolarHBondContact O-N 3.09Å; E587-M591 WeakPolarHBondContact O-CG 3.24Å; E587-M591 PolarHBondContact O-N 2.83Å; E587-I614 HydrophobicContact CG-CD1 3.94Å; E587-L617 HydrophobicContact CB-CD1 4.4Å; E587-L617 HydrophobicContact CG-CD1 3.85Å |
| 588 | M | 84.8 | Confident | 84 | Confident | 19 Ų | 19 | 42 Ų | 42 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 179.8 | -178.4 | -174.2 | 68.7 | 0 | 0 | 111.2 | M555 V560 C563 T564 R584 L585 L586 S592 | M555-M588 HydrophobicContact CE-CG 4.43Å; M555-M588 HydrophobicContact CE-SD 3.96Å; M555-M588 HydrophobicContact SD-SD 3.5Å; V560-M588 HydrophobicContact CB-SD 4.45Å; V560-M588 HydrophobicContact CG1-CE 3.93Å; V560-M588 HydrophobicContact CG1-CG 3.97Å; V560-M588 HydrophobicContact CG1-SD 3.81Å; V560-M588 HydrophobicContact CG2-SD 4.39Å; C563-M588 HydrophobicContact CB-CE 4.37Å; C563-M588 HydrophobicContact CB-SD 4.49Å; T564-M588 WeakPolarHBondContact OG1-CE 3.35Å; R584-M588 VanDerWaalsContact O-CB 3.25Å; R584-M588 WeakPolarHBondContact O-CB 3.28Å; R584-M588 PolarHBondContact O-N 2.68Å; L585-M588 HydrophobicContact CD1-CE 4.38Å; L586-M588 PolarHBondContact O-N 3.46Å; M588-S592 WeakPolarHBondContact O-CB 3.28Å; M588-S592 PolarHBondContact O-N 2.96Å; M588-S592 VanDerWaalsContact O-N 3.08Å; M588-S592 PolarHBondContact O-OG 3.45Å |
| 589 | N | 85.2 | Confident | 84 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74.9 | -35.6 | 179.4 | -73.2 | -72.1 | 0 | 0 | 0 | 112.3 | T564 L585 L586 E587 M591 S592 A593 A597 | T564-N589 PolarHBondContact OG1-ND2 3.06Å; T564-N589 VanDerWaalsContact OG1-ND2 3.17Å; T564-N589 PolarHBondContact OG1-OD1 3.35Å; T564-N589 VanDerWaalsContact OG1-OD1 3.13Å; L585-N589 WeakPolarHBondContact CD1-ND2 3.24Å; L585-N589 PolarHBondContact O-N 3.2Å; L585-N589 PolarHBondContact O-ND2 3.26Å; L586-N589 PolarHBondContact O-N 2.98Å; E587-N589 VanDerWaalsContact C-N 3.33Å; E587-N589 PolarHBondContact O-N 3.38Å; N589-M591 VanDerWaalsContact C-N 3.26Å; N589-M591 PolarHBondContact O-N 3.38Å; N589-S592 PolarHBondContact O-N 3.38Å; N589-A593 CarbonylContact O-C 3.59Å; N589-A593 WeakPolarHBondContact O-CA 3.47Å; N589-A593 PolarHBondContact O-N 3.38Å; N589-A597 HydrophobicContact CB-CB 3.94Å |
| 590 | L | 83.7 | Confident | 83.9 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64 | -31.6 | 175.1 | -76.5 | 167.1 | 0 | 0 | 0 | 112.4 | L586 E587 A597 I614 L617 A621 L623 | L586-L590 WeakPolarHBondContact O-CB 3.48Å; L586-L590 VanDerWaalsContact O-CG 3.29Å; L586-L590 WeakPolarHBondContact O-CG 3.2Å; L586-L590 PolarHBondContact O-N 2.91Å; E587-L590 PolarHBondContact O-N 3.09Å; L590-A597 HydrophobicContact CB-CB 4.49Å; L590-A597 HydrophobicContact CD2-CB 3.57Å; L590-A597 HydrophobicContact CG-CB 3.62Å; L590-I614 HydrophobicContact CD1-CD1 4.09Å; L590-I614 HydrophobicContact CD1-CG2 4.07Å; L590-L617 HydrophobicContact CB-CB 4.39Å; L590-L617 HydrophobicContact CD1-CB 3.7Å; L590-L617 HydrophobicContact CD1-CD1 4.39Å; L590-A621 HydrophobicContact CD2-CB 4.39Å; L590-L623 HydrophobicContact CD2-CD1 4.18Å |
| 591 | M | 83.1 | Confident | 83.7 | Confident | 145 Ų | 145 | 39.5 Ų | 39.5 | 71% | 0.714 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -82.4 | -35.8 | 176.3 | -70.7 | -165.6 | -75 | 0 | 0 | 113.9 | E587 N589 | E587-M591 WeakPolarHBondContact O-CG 3.24Å; E587-M591 PolarHBondContact O-N 2.83Å; N589-M591 VanDerWaalsContact C-N 3.26Å; N589-M591 PolarHBondContact O-N 3.38Å |
| 592 | S | 79.9 | Confident | 83.6 | Confident | 72 Ų | 72 | 40.8 Ų | 40.8 | 50% | 0.503 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -101.8 | -34.3 | -172 | 61.8 | 0 | 0 | 0 | 0 | 114.5 | M588 N589 | M588-S592 WeakPolarHBondContact O-CB 3.28Å; M588-S592 PolarHBondContact O-N 2.96Å; M588-S592 VanDerWaalsContact O-N 3.08Å; M588-S592 PolarHBondContact O-OG 3.45Å; N589-S592 PolarHBondContact O-N 3.38Å |
| 593 | A | 80.6 | Confident | 83.3 | Confident | 21 Ų | 21 | 46.5 Ų | 46.5 | 17% | 0.174 | 26% | 0.259 | C | S | . | . | trans | -153 | 75.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | N589 Q595 V596 A597 | N589-A593 CarbonylContact O-C 3.59Å; N589-A593 WeakPolarHBondContact O-CA 3.47Å; N589-A593 PolarHBondContact O-N 3.38Å; A593-Q595 PolarHBondContact O-N 2.79Å; A593-V596 HydrophobicContact CB-CB 4.36Å; A593-V596 HydrophobicContact CB-CG2 3.95Å; A593-V596 WeakPolarHBondContact O-CB 3.28Å; A593-V596 PolarHBondContact O-N 2.8Å; A593-A597 PolarHBondContact O-N 3.2Å | ||
| 594 | P | 82.8 | Confident | 82.9 | Confident | 47 Ų | 47 | 53.2 Ų | 53.2 | 31% | 0.305 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -53.5 | -32.9 | -173.9 | -25.9 | 31.3 | 0 | 0 | 0 | 114.6 | V596 A597 D598 A621 | P594-V596 VanDerWaalsContact C-N 3.28Å; P594-V596 PolarHBondContact O-N 3.45Å; P594-A597 WeakPolarHBondContact O-CB 3.45Å; P594-A597 PolarHBondContact O-N 3.22Å; P594-D598 PolarHBondContact O-N 3.34Å; P594-A621 HydrophobicContact CB-CB 4.37Å |
| 595 | Q | 82 | Confident | 82.6 | Confident | 154 Ų | 154 | 52.2 Ų | 52.2 | 72% | 0.72 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -59.5 | -33.5 | 175.4 | 64.9 | -136.8 | 7.1 | 0 | 0 | 114 | A593 A599 | A593-Q595 PolarHBondContact O-N 2.79Å; Q595-A599 PolarHBondContact O-N 3.06Å |
| 596 | V | 81.7 | Confident | 82.5 | Confident | 54 Ų | 54 | 52.8 Ų | 52.8 | 33% | 0.327 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -74.8 | -40.3 | 177.1 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | T564 A593 P594 A599 I600 | T564-V596 HydrophobicContact CG2-CG1 4.25Å; A593-V596 HydrophobicContact CB-CB 4.36Å; A593-V596 HydrophobicContact CB-CG2 3.95Å; A593-V596 WeakPolarHBondContact O-CB 3.28Å; A593-V596 PolarHBondContact O-N 2.8Å; P594-V596 VanDerWaalsContact C-N 3.28Å; P594-V596 PolarHBondContact O-N 3.45Å; V596-A599 PolarHBondContact O-N 3.36Å; V596-I600 HydrophobicContact CG1-CD1 4Å; V596-I600 VanDerWaalsContact O-CG1 3.25Å; V596-I600 WeakPolarHBondContact O-CG1 3.23Å; V596-I600 PolarHBondContact O-N 3.25Å |
| 597 | A | 82.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.3 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N589 L590 A593 P594 A599 I600 L601 | N589-A597 HydrophobicContact CB-CB 3.94Å; L590-A597 HydrophobicContact CB-CB 4.49Å; L590-A597 HydrophobicContact CD2-CB 3.57Å; L590-A597 HydrophobicContact CG-CB 3.62Å; A593-A597 PolarHBondContact O-N 3.2Å; P594-A597 WeakPolarHBondContact O-CB 3.45Å; P594-A597 PolarHBondContact O-N 3.22Å; A597-A599 VanDerWaalsContact C-N 3.33Å; A597-A599 PolarHBondContact O-N 3.24Å; A597-I600 PolarHBondContact O-N 2.68Å; A597-L601 WeakPolarHBondContact O-CB 3.43Å; A597-L601 WeakPolarHBondContact O-CG 3.46Å; A597-L601 PolarHBondContact O-N 3.27Å |
| 598 | D | 82.8 | Confident | 82.3 | Confident | 55 Ų | 55 | 55.5 Ų | 55.5 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 175 | -174.3 | 32.1 | 0 | 0 | 0 | 111.8 | P594 I600 L601 G602 L623 R626 | P594-D598 PolarHBondContact O-N 3.34Å; D598-I600 PolarHBondContact O-N 3.39Å; D598-L601 PolarHBondContact O-N 2.89Å; D598-G602 PolarHBondContact O-N 3.45Å; D598-L623 HydrophobicContact CB-CD1 3.89Å; D598-L623 HydrophobicContact CB-CD2 4.13Å; D598-R626 WeakPolarHBondContact OD1-CG 3.44Å; D598-R626 IonicContact OD1-CZ 3.92Å; D598-R626 IonicContact OD1-NE 3.83Å; D598-R626 PolarHBondContact OD1-NE 3.1Å; D598-R626 IonicContact OD1-NH2 3.07Å |
| 599 | A | 80.8 | Confident | 82.4 | Confident | 52 Ų | 52 | 55.7 Ų | 55.7 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q595 V596 A597 N603 | Q595-A599 PolarHBondContact O-N 3.06Å; V596-A599 PolarHBondContact O-N 3.36Å; A597-A599 VanDerWaalsContact C-N 3.33Å; A597-A599 PolarHBondContact O-N 3.24Å; A599-N603 PolarHBondContact O-N 2.88Å; A599-N603 VanDerWaalsContact O-N 3.15Å; A599-N603 PolarHBondContact O-ND2 3.32Å |
| 600 | I | 81.9 | Confident | 82.4 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 5% | 0.046 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.6 | -47.5 | 177.1 | -67.8 | 168 | 0 | 0 | 0 | 110.6 | L568 L586 V596 A597 D598 N603 Q604 F606 | L568-I600 HydrophobicContact CD2-CD1 4.02Å; L568-I600 HydrophobicContact CD2-CG1 4.02Å; L586-I600 HydrophobicContact CD2-CB 4.35Å; L586-I600 HydrophobicContact CD2-CG2 3.82Å; V596-I600 HydrophobicContact CG1-CD1 4Å; V596-I600 VanDerWaalsContact O-CG1 3.25Å; V596-I600 WeakPolarHBondContact O-CG1 3.23Å; V596-I600 PolarHBondContact O-N 3.25Å; A597-I600 PolarHBondContact O-N 2.68Å; D598-I600 PolarHBondContact O-N 3.39Å; I600-N603 PolarHBondContact O-N 2.9Å; I600-Q604 PolarHBondContact O-N 3.14Å; I600-F606 HydrophobicContact CG2-CD2 3.74Å; I600-F606 HydrophobicContact CG2-CE2 3.66Å |
| 601 | L | 82.7 | Confident | 82.4 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 178.8 | -69.9 | 170.6 | 0 | 0 | 0 | 111.3 | L586 A597 D598 N603 Q604 Y609 I614 C618 R626 | L586-L601 HydrophobicContact CD1-CD2 4.03Å; L586-L601 HydrophobicContact CD2-CD2 3.91Å; L586-L601 HydrophobicContact CD2-CG 4.01Å; A597-L601 WeakPolarHBondContact O-CB 3.43Å; A597-L601 WeakPolarHBondContact O-CG 3.46Å; A597-L601 PolarHBondContact O-N 3.27Å; D598-L601 PolarHBondContact O-N 2.89Å; L601-N603 VanDerWaalsContact C-N 3.32Å; L601-N603 PolarHBondContact O-N 3.43Å; L601-Q604 PolarHBondContact O-N 3.46Å; L601-Q604 VanDerWaalsContact O-N 3.1Å; L601-Y609 HydrophobicContact CD2-CE2 4.37Å; L601-Y609 WeakPolarHBondContact CD2-OH 3.28Å; L601-I614 HydrophobicContact CD1-CG2 4.36Å; L601-I614 HydrophobicContact CD2-CG2 4.36Å; L601-C618 VanDerWaalsContact CD1-SG 3.57Å; L601-R626 HydrophobicContact CD1-CB 4.26Å; L601-R626 HydrophobicContact CD1-CG 4.39Å |
| 602 | G | 82.2 | Confident | 82.4 | Confident | 29 Ų | 29 | 60.8 Ų | 60.8 | 30% | 0.299 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.1 | -32.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D598 Q604 R626 | D598-G602 PolarHBondContact O-N 3.45Å; G602-Q604 VanDerWaalsContact C-N 3.26Å; G602-Q604 PolarHBondContact O-N 2.8Å; G602-R626 VanDerWaalsContact CA-NH2 3.28Å |
| 603 | N | 81.2 | Confident | 82.5 | Confident | 120 Ų | 120 | 58.6 Ų | 58.6 | 64% | 0.642 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -3.6 | 175.4 | -72.9 | -22.5 | 0 | 0 | 0 | 113.7 | A599 I600 L601 M605 | A599-N603 PolarHBondContact O-N 2.88Å; A599-N603 VanDerWaalsContact O-N 3.15Å; A599-N603 PolarHBondContact O-ND2 3.32Å; I600-N603 PolarHBondContact O-N 2.9Å; L601-N603 VanDerWaalsContact C-N 3.32Å; L601-N603 PolarHBondContact O-N 3.43Å; N603-M605 HydrophobicContact CB-CG 3.83Å; N603-M605 HydrophobicContact CB-SD 4.28Å; N603-M605 PolarHBondContact O-N 2.92Å; N603-M605 VanDerWaalsContact O-N 3.16Å |
| 604 | Q | 80.6 | Confident | 82.8 | Confident | 158 Ų | 158 | 57.6 Ų | 57.6 | 74% | 0.738 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 37 | 179 | -59.1 | -176.8 | -3 | 0 | 0 | 114.1 | I600 L601 G602 F606 | I600-Q604 PolarHBondContact O-N 3.14Å; L601-Q604 PolarHBondContact O-N 3.46Å; L601-Q604 VanDerWaalsContact O-N 3.1Å; G602-Q604 VanDerWaalsContact C-N 3.26Å; G602-Q604 PolarHBondContact O-N 2.8Å; Q604-F606 VanDerWaalsContact C-N 3.31Å; Q604-F606 PolarHBondContact O-N 3.34Å |
| 605 | M | 77.1 | Confident | 82.8 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 35% | 0.35 | 30% | 0.302 | S | S | . | . | trans | -71.3 | -23.4 | -174 | -65.8 | -178.9 | 65.1 | 0 | 0 | 114 | L568 N603 | L568-M605 HydrophobicContact CD2-CE 4.22Å; L568-M605 HydrophobicContact CD2-SD 4.31Å; N603-M605 HydrophobicContact CB-CG 3.83Å; N603-M605 HydrophobicContact CB-SD 4.28Å; N603-M605 PolarHBondContact O-N 2.92Å; N603-M605 VanDerWaalsContact O-N 3.16Å | ||
| 606 | F | 84.3 | Confident | 82.9 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 5% | 0.048 | 29% | 0.291 | C | S | . | . | trans | -131 | 149.6 | -171.9 | -54.3 | -53.3 | 0 | 0 | 0 | 110.8 | L568 L571 N574 Q582 L585 I600 Q604 Y609 | L568-F606 HydrophobicContact CD2-CE2 3.92Å; L568-F606 HydrophobicContact CD2-CZ 3.94Å; L571-F606 HydrophobicContact CB-CD1 4.03Å; L571-F606 HydrophobicContact CB-CE1 3.35Å; L571-F606 HydrophobicContact CB-CZ 3.95Å; L571-F606 WeakPolarHBondContact O-CE1 3.39Å; N574-F606 WeakPolarHBondContact OD1-CA 3.5Å; Q582-F606 HydrophobicContact CB-CB 4.46Å; Q582-F606 HydrophobicContact CG-CB 4.24Å; Q582-F606 HydrophobicContact CG-CD1 4.21Å; Q582-F606 HydrophobicContact CG-CG 4.25Å; L585-F606 HydrophobicContact CD2-CD2 4.19Å; L585-F606 HydrophobicContact CD2-CE2 3.4Å; L585-F606 HydrophobicContact CD2-CZ 3.89Å; I600-F606 HydrophobicContact CG2-CD2 3.74Å; I600-F606 HydrophobicContact CG2-CE2 3.66Å; Q604-F606 VanDerWaalsContact C-N 3.31Å; Q604-F606 PolarHBondContact O-N 3.34Å; F606-Y609 HydrophobicContact CB-CD1 3.9Å; F606-Y609 HydrophobicContact CB-CE1 3.91Å; F606-Y609 WeakPolarHBondContact O-CE1 3.2Å | ||
| 607 | S | 82.7 | Confident | 83 | Confident | 47 Ų | 47 | 52.6 Ų | 52.6 | 33% | 0.329 | 29% | 0.286 | S | S | . | . | trans | -138.1 | -6.6 | -178.6 | 66.8 | 0 | 0 | 0 | 0 | 115.8 | N574 | N574-S607 WeakPolarHBondContact ND2-CB 3.09Å; N574-S607 PolarHBondContact ND2-N 3.08Å; N574-S607 PolarHBondContact ND2-OG 2.99Å; N574-S607 PolarHBondContact OD1-N 3.46Å; N574-S607 PolarHBondContact OD1-OG 3.32Å | ||
| 608 | H | 84.6 | Confident | 83.1 | Confident | 78 Ų | 78 | 52.6 Ų | 52.6 | 36% | 0.361 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -109.2 | 6.5 | -171.4 | -62.8 | -66.1 | 0 | 0 | 0 | 114.7 | N574 G579 | N574-H608 PolarHBondContact O-CD2 2.91Å; N574-H608 PolarHBondContact O-NE2 3.46Å; N574-H608 PolarHBondContact OD1-CD2 2.69Å; G579-H608 VanDerWaalsContact CA-O 3.29Å; G579-H608 WeakPolarHBondContact CA-O 3.27Å |
| 609 | Y | 87.1 | Confident | 83 | Confident | 24 Ų | 24 | 52.7 Ų | 52.7 | 9% | 0.094 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -73.1 | 165.5 | 172.8 | 54.2 | -90.1 | 0 | 0 | 0 | 112.4 | Q582 T583 L586 L601 F606 R611 I614 H630 | Q582-Y609 HydrophobicContact CB-CD1 4.28Å; T583-Y609 WeakPolarHBondContact OG1-CA 3.33Å; T583-Y609 WeakPolarHBondContact OG1-CB 3.3Å; L586-Y609 HydrophobicContact CD1-CD1 3.56Å; L586-Y609 HydrophobicContact CD1-CD2 3.58Å; L586-Y609 HydrophobicContact CD1-CE1 3.73Å; L586-Y609 HydrophobicContact CD1-CE2 3.73Å; L586-Y609 HydrophobicContact CD1-CG 3.48Å; L586-Y609 VanDerWaalsContact CD1-CG 3.48Å; L601-Y609 HydrophobicContact CD2-CE2 4.37Å; L601-Y609 WeakPolarHBondContact CD2-OH 3.28Å; F606-Y609 HydrophobicContact CB-CD1 3.9Å; F606-Y609 HydrophobicContact CB-CE1 3.91Å; F606-Y609 WeakPolarHBondContact O-CE1 3.2Å; Y609-R611 HydrophobicContact CD2-CG 4.48Å; Y609-R611 HydrophobicContact CE2-CG 4.28Å; Y609-R611 PolarHBondContact O-N 3.24Å; Y609-I614 HydrophobicContact CD2-CB 4.11Å; Y609-I614 HydrophobicContact CD2-CG1 3.67Å; Y609-I614 HydrophobicContact CD2-CG2 4.45Å; Y609-I614 HydrophobicContact CE2-CB 4.16Å; Y609-I614 HydrophobicContact CE2-CG1 4.18Å; Y609-I614 HydrophobicContact CE2-CG2 4.1Å; Y609-H630 AromaticContact CE2-CD2 3.53Å; Y609-H630 AromaticContact CE2-NE2 3.48Å; Y609-H630 WeakPolarHBondContact CE2-NE2 3.43Å; Y609-H630 AromaticContact CZ-CD2 3.93Å; Y609-H630 AromaticContact CZ-NE2 3.42Å; Y609-H630 PolarHBondContact OH-CD2 3.41Å; Y609-H630 PolarHBondContact OH-NE2 3.36Å |
| 610 | D | 86.1 | Confident | 83.1 | Confident | 84 Ų | 84 | 58.4 Ų | 58.4 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | trans | -69.5 | 97.4 | 174.7 | -173.6 | -21.8 | 0 | 0 | 0 | 110.3 | T583 A612 A613 I614 | T583-D610 HydrophobicContact CG2-CB 4.01Å; T583-D610 PolarHBondContact OG1-N 3.11Å; D610-A612 VanDerWaalsContact C-N 3.28Å; D610-A612 PolarHBondContact O-N 3.42Å; D610-A612 PolarHBondContact OD1-N 3.35Å; D610-A612 VanDerWaalsContact OD1-N 3.09Å; D610-A613 HydrophobicContact CB-CB 4.15Å; D610-A613 PolarHBondContact O-N 3.28Å; D610-A613 PolarHBondContact OD1-N 2.93Å; D610-I614 VanDerWaalsContact O-CG1 3.31Å; D610-I614 WeakPolarHBondContact O-CG1 3.47Å; D610-I614 PolarHBondContact O-N 3.27Å; D610-I614 VanDerWaalsContact O-N 3.15Å | ||
| 611 | R | 84.2 | Confident | 83.1 | Confident | 123 Ų | 123 | 59.8 Ų | 59.8 | 46% | 0.464 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.2 | -35.6 | -177.4 | -64.3 | -173.8 | 179.1 | -167.8 | -2 | 112.6 | Y609 A615 | Y609-R611 HydrophobicContact CD2-CG 4.48Å; Y609-R611 HydrophobicContact CE2-CG 4.28Å; Y609-R611 PolarHBondContact O-N 3.24Å; R611-A615 VanDerWaalsContact O-CB 3.23Å; R611-A615 WeakPolarHBondContact O-CB 3.31Å; R611-A615 PolarHBondContact O-N 3.24Å |
| 612 | A | 81.6 | Confident | 83 | Confident | 58 Ų | 58 | 62.1 Ų | 62.1 | 48% | 0.479 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.4 | -45 | -176 | 0 | 0 | 0 | 0 | 0 | 111.1 | D610 A615 Q616 | D610-A612 VanDerWaalsContact C-N 3.28Å; D610-A612 PolarHBondContact O-N 3.42Å; D610-A612 PolarHBondContact OD1-N 3.35Å; D610-A612 VanDerWaalsContact OD1-N 3.09Å; A612-A615 PolarHBondContact O-N 3.35Å; A612-Q616 WeakPolarHBondContact O-CG 3.45Å; A612-Q616 PolarHBondContact O-N 3.26Å |
| 613 | A | 81.8 | Confident | 83.1 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D610 Q616 L617 | D610-A613 HydrophobicContact CB-CB 4.15Å; D610-A613 PolarHBondContact O-N 3.28Å; D610-A613 PolarHBondContact OD1-N 2.93Å; A613-Q616 PolarHBondContact O-N 3.05Å; A613-L617 WeakPolarHBondContact O-CG 3.37Å; A613-L617 PolarHBondContact O-N 2.89Å; A613-L617 VanDerWaalsContact O-N 3.17Å |
| 614 | I | 87.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.8 | -39.8 | 179.2 | -63.8 | -49.7 | 0 | 0 | 0 | 111.9 | T583 L586 E587 L590 L601 Y609 D610 Q616 L617 C618 | T583-I614 HydrophobicContact CG2-CD1 4.48Å; L586-I614 HydrophobicContact CB-CD1 3.48Å; L586-I614 VanDerWaalsContact CB-CD1 3.48Å; L586-I614 HydrophobicContact CB-CG1 4.09Å; L586-I614 HydrophobicContact CD1-CD1 4.33Å; L586-I614 HydrophobicContact CD1-CG1 4Å; L586-I614 HydrophobicContact CD1-CG2 4.28Å; E587-I614 HydrophobicContact CG-CD1 3.94Å; L590-I614 HydrophobicContact CD1-CD1 4.09Å; L590-I614 HydrophobicContact CD1-CG2 4.07Å; L601-I614 HydrophobicContact CD1-CG2 4.36Å; L601-I614 HydrophobicContact CD2-CG2 4.36Å; Y609-I614 HydrophobicContact CD2-CB 4.11Å; Y609-I614 HydrophobicContact CD2-CG1 3.67Å; Y609-I614 HydrophobicContact CD2-CG2 4.45Å; Y609-I614 HydrophobicContact CE2-CB 4.16Å; Y609-I614 HydrophobicContact CE2-CG1 4.18Å; Y609-I614 HydrophobicContact CE2-CG2 4.1Å; D610-I614 VanDerWaalsContact O-CG1 3.31Å; D610-I614 WeakPolarHBondContact O-CG1 3.47Å; D610-I614 PolarHBondContact O-N 3.27Å; D610-I614 VanDerWaalsContact O-N 3.15Å; I614-Q616 PolarHBondContact O-N 2.7Å; I614-L617 PolarHBondContact O-N 2.62Å; I614-C618 WeakPolarHBondContact O-CB 3.34Å; I614-C618 PolarHBondContact O-N 3Å; I614-C618 PolarHBondContact O-SG 3.31Å |
| 615 | A | 83.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.6 | -46.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R611 A612 L617 C618 E619 H630 Y631 | R611-A615 VanDerWaalsContact O-CB 3.23Å; R611-A615 WeakPolarHBondContact O-CB 3.31Å; R611-A615 PolarHBondContact O-N 3.24Å; A612-A615 PolarHBondContact O-N 3.35Å; A615-L617 VanDerWaalsContact C-N 3.34Å; A615-L617 PolarHBondContact O-N 3.18Å; A615-C618 WeakPolarHBondContact O-CB 3.35Å; A615-C618 PolarHBondContact O-N 2.98Å; A615-E619 PolarHBondContact O-N 3.39Å; A615-H630 HydrophobicContact CB-CB 3.71Å; A615-Y631 HydrophobicContact CB-CD1 3.64Å; A615-Y631 HydrophobicContact CB-CE1 3.44Å; A615-Y631 VanDerWaalsContact CB-CE1 3.44Å; A615-Y631 HydrophobicContact CB-CE2 4.39Å; A615-Y631 HydrophobicContact CB-CG 4.16Å |
| 616 | Q | 84.2 | Confident | 83.7 | Confident | 108 Ų | 108 | 52.1 Ų | 52.1 | 51% | 0.505 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 177.5 | -70.2 | -178 | 4.1 | 0 | 0 | 112.6 | A612 A613 I614 K620 | A612-Q616 WeakPolarHBondContact O-CG 3.45Å; A612-Q616 PolarHBondContact O-N 3.26Å; A613-Q616 PolarHBondContact O-N 3.05Å; I614-Q616 PolarHBondContact O-N 2.7Å; Q616-K620 WeakPolarHBondContact O-CG 3.37Å; Q616-K620 PolarHBondContact O-N 2.98Å |
| 617 | L | 83.8 | Confident | 83.6 | Confident | 42 Ų | 42 | 51.6 Ų | 51.6 | 22% | 0.22 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.1 | -38.3 | 176.2 | -72.8 | 174 | 0 | 0 | 0 | 112 | E587 L590 A613 I614 A615 K620 A621 | E587-L617 HydrophobicContact CB-CD1 4.4Å; E587-L617 HydrophobicContact CG-CD1 3.85Å; L590-L617 HydrophobicContact CB-CB 4.39Å; L590-L617 HydrophobicContact CD1-CB 3.7Å; L590-L617 HydrophobicContact CD1-CD1 4.39Å; A613-L617 WeakPolarHBondContact O-CG 3.37Å; A613-L617 PolarHBondContact O-N 2.89Å; A613-L617 VanDerWaalsContact O-N 3.17Å; I614-L617 PolarHBondContact O-N 2.62Å; A615-L617 VanDerWaalsContact C-N 3.34Å; A615-L617 PolarHBondContact O-N 3.18Å; L617-K620 PolarHBondContact O-N 3.13Å; L617-A621 VanDerWaalsContact O-CB 3.26Å; L617-A621 WeakPolarHBondContact O-CB 3.44Å; L617-A621 PolarHBondContact O-N 2.75Å |
| 618 | C | 84.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 172.5 | -74.9 | 0 | 0 | 0 | 0 | 111.3 | L601 I614 A615 A621 G622 L623 R626 A627 | L601-C618 VanDerWaalsContact CD1-SG 3.57Å; I614-C618 WeakPolarHBondContact O-CB 3.34Å; I614-C618 PolarHBondContact O-N 3Å; I614-C618 PolarHBondContact O-SG 3.31Å; A615-C618 WeakPolarHBondContact O-CB 3.35Å; A615-C618 PolarHBondContact O-N 2.98Å; C618-A621 CarbonylContact O-C 3.55Å; C618-A621 PolarHBondContact O-N 3.48Å; C618-G622 PolarHBondContact O-N 3.49Å; C618-G622 VanDerWaalsContact O-N 3.11Å; C618-L623 HydrophobicContact CB-CB 4.23Å; C618-L623 PolarHBondContact O-N 3.41Å; C618-R626 HydrophobicContact CB-CB 4.26Å; C618-A627 HydrophobicContact CB-CB 4.14Å |
| 619 | E | 81.3 | Confident | 83.6 | Confident | 58 Ų | 58 | 48.7 Ų | 48.7 | 27% | 0.271 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 175.5 | -174.1 | 174.6 | 179.1 | 0 | 0 | 111.6 | A615 A621 G622 L624 A627 Y631 R639 | A615-E619 PolarHBondContact O-N 3.39Å; E619-A621 VanDerWaalsContact C-N 3.26Å; E619-A621 PolarHBondContact O-N 3.31Å; E619-G622 PolarHBondContact O-N 3.2Å; E619-L624 HydrophobicContact CG-CD2 4.05Å; E619-A627 HydrophobicContact CB-CB 4.1Å; E619-Y631 PolarHBondContact OE2-OH 3.39Å; E619-R639 VanDerWaalsContact CD-NH2 3.3Å; E619-R639 IonicContact OE1-CZ 3.13Å; E619-R639 IonicContact OE1-NE 3.95Å; E619-R639 IonicContact OE1-NH2 2.62Å; E619-R639 PolarHBondContact OE1-NH2 2.81Å; E619-R639 IonicContact OE2-CZ 3.42Å; E619-R639 IonicContact OE2-NH2 2.66Å; E619-R639 PolarHBondContact OE2-NH2 2.9Å |
| 620 | K | 81.6 | Confident | 83.3 | Confident | 171 Ų | 171 | 48.3 Ų | 48.3 | 74% | 0.743 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.8 | -31.5 | 174.9 | -74.3 | 176.9 | -176.5 | 173.2 | 0 | 113.3 | Q616 L617 G622 | Q616-K620 WeakPolarHBondContact O-CG 3.37Å; Q616-K620 PolarHBondContact O-N 2.98Å; L617-K620 PolarHBondContact O-N 3.13Å; K620-G622 VanDerWaalsContact C-N 3.29Å |
| 621 | A | 81.7 | Confident | 83.2 | Confident | 38 Ų | 38 | 45 Ų | 45 | 31% | 0.314 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -1.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L590 P594 L617 C618 E619 | L590-A621 HydrophobicContact CD2-CB 4.39Å; P594-A621 HydrophobicContact CB-CB 4.37Å; L617-A621 VanDerWaalsContact O-CB 3.26Å; L617-A621 WeakPolarHBondContact O-CB 3.44Å; L617-A621 PolarHBondContact O-N 2.75Å; C618-A621 CarbonylContact O-C 3.55Å; C618-A621 PolarHBondContact O-N 3.48Å; E619-A621 VanDerWaalsContact C-N 3.26Å; E619-A621 PolarHBondContact O-N 3.31Å |
| 622 | G | 81.5 | Confident | 82.9 | Confident | 59 Ų | 59 | 45 Ų | 45 | 61% | 0.608 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 8.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | C618 E619 K620 L624 | C618-G622 PolarHBondContact O-N 3.49Å; C618-G622 VanDerWaalsContact O-N 3.11Å; E619-G622 PolarHBondContact O-N 3.2Å; K620-G622 VanDerWaalsContact C-N 3.29Å; G622-L624 PolarHBondContact O-N 3.43Å |
| 623 | L | 83.3 | Confident | 82.8 | Confident | 36 Ų | 36 | 46.5 Ų | 46.5 | 19% | 0.188 | 25% | 0.253 | C | S | . | . | trans | -90.4 | 65.3 | -179.3 | -60.5 | 173.6 | 0 | 0 | 0 | 111.2 | L590 D598 C618 Q625 R626 A627 | L590-L623 HydrophobicContact CD2-CD1 4.18Å; D598-L623 HydrophobicContact CB-CD1 3.89Å; D598-L623 HydrophobicContact CB-CD2 4.13Å; C618-L623 HydrophobicContact CB-CB 4.23Å; C618-L623 PolarHBondContact O-N 3.41Å; L623-Q625 PolarHBondContact O-N 3.43Å; L623-R626 HydrophobicContact CB-CB 4.17Å; L623-R626 HydrophobicContact CB-CG 4.24Å; L623-R626 PolarHBondContact O-N 2.72Å; L623-R626 VanDerWaalsContact O-N 3.16Å; L623-A627 PolarHBondContact O-N 3.06Å | ||
| 624 | L | 82.8 | Confident | 82.5 | Confident | 24 Ų | 24 | 47.5 Ų | 47.5 | 13% | 0.126 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.2 | -36.4 | -174.1 | -75.7 | 171.5 | 0 | 0 | 0 | 114.4 | E619 G622 R626 A627 L628 L646 L647 | E619-L624 HydrophobicContact CG-CD2 4.05Å; G622-L624 PolarHBondContact O-N 3.43Å; L624-R626 VanDerWaalsContact C-N 3.32Å; L624-R626 PolarHBondContact O-N 2.95Å; L624-A627 PolarHBondContact O-N 2.91Å; L624-L628 PolarHBondContact O-N 3.25Å; L624-L646 HydrophobicContact CD1-CB 3.8Å; L624-L646 HydrophobicContact CD1-CD1 3.37Å; L624-L646 HydrophobicContact CD1-CG 4.21Å; L624-L647 HydrophobicContact CB-CD2 4.23Å |
| 625 | Q | 85.4 | Confident | 82.2 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 29% | 0.29 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 176.1 | -67.9 | 177.5 | 12.9 | 0 | 0 | 111 | L623 L628 E629 L647 W651 | L623-Q625 PolarHBondContact O-N 3.43Å; Q625-L628 PolarHBondContact O-N 3.25Å; Q625-E629 WeakPolarHBondContact O-CG 3.36Å; Q625-E629 PolarHBondContact O-N 3.5Å; Q625-E629 VanDerWaalsContact O-N 3.12Å; Q625-L647 HydrophobicContact CG-CD2 3.85Å; Q625-W651 HydrophobicContact CB-CD2 4.45Å; Q625-W651 HydrophobicContact CB-CH2 4.14Å; Q625-W651 HydrophobicContact CB-CZ2 3.9Å; Q625-W651 HydrophobicContact CB-CZ3 4.48Å; Q625-W651 HydrophobicContact CG-CD2 4.06Å; Q625-W651 HydrophobicContact CG-CE3 3.99Å; Q625-W651 HydrophobicContact CG-CH2 4.28Å; Q625-W651 HydrophobicContact CG-CZ2 4.3Å; Q625-W651 HydrophobicContact CG-CZ3 4.11Å |
| 626 | R | 83.8 | Confident | 82.1 | Confident | 46 Ų | 46 | 56.9 Ų | 56.9 | 17% | 0.174 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 176 | -58.4 | -55.3 | 178.4 | -160.7 | -5.9 | 111.7 | D598 L601 G602 C618 L623 L624 E629 H630 | D598-R626 WeakPolarHBondContact OD1-CG 3.44Å; D598-R626 IonicContact OD1-CZ 3.92Å; D598-R626 IonicContact OD1-NE 3.83Å; D598-R626 PolarHBondContact OD1-NE 3.1Å; D598-R626 IonicContact OD1-NH2 3.07Å; L601-R626 HydrophobicContact CD1-CB 4.26Å; L601-R626 HydrophobicContact CD1-CG 4.39Å; G602-R626 VanDerWaalsContact CA-NH2 3.28Å; C618-R626 HydrophobicContact CB-CB 4.26Å; L623-R626 HydrophobicContact CB-CB 4.17Å; L623-R626 HydrophobicContact CB-CG 4.24Å; L623-R626 PolarHBondContact O-N 2.72Å; L623-R626 VanDerWaalsContact O-N 3.16Å; L624-R626 VanDerWaalsContact C-N 3.32Å; L624-R626 PolarHBondContact O-N 2.95Å; R626-E629 VanDerWaalsContact CD-OE2 3.31Å; R626-E629 WeakPolarHBondContact CD-OE2 3.39Å; R626-E629 IonicContact CZ-OE2 3.83Å; R626-E629 IonicContact NH1-OE1 2.71Å; R626-E629 PolarHBondContact NH1-OE1 3.16Å; R626-E629 IonicContact NH1-OE2 3.78Å; R626-E629 PolarHBondContact NH1-OE2 3.43Å; R626-E629 PolarHBondContact O-N 3.34Å; R626-H630 PolarHBondContact O-N 3.38Å; R626-H630 PolarHBondContact O-ND1 3.14Å |
| 627 | A | 83 | Confident | 82.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -46 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | C618 E619 L623 L624 E629 H630 Y631 | C618-A627 HydrophobicContact CB-CB 4.14Å; E619-A627 HydrophobicContact CB-CB 4.1Å; L623-A627 PolarHBondContact O-N 3.06Å; L624-A627 PolarHBondContact O-N 2.91Å; A627-E629 PolarHBondContact O-N 3.44Å; A627-H630 PolarHBondContact O-N 3.41Å; A627-H630 VanDerWaalsContact O-N 3.09Å; A627-Y631 HydrophobicContact CB-CD2 4.16Å; A627-Y631 HydrophobicContact CB-CE2 3.75Å; A627-Y631 WeakPolarHBondContact O-CD2 3.42Å; A627-Y631 PolarHBondContact O-N 3.33Å |
| 628 | L | 84 | Confident | 81.9 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 176.6 | -79 | 171.9 | 0 | 0 | 0 | 113.2 | L624 Q625 H630 I637 A640 V641 L647 W651 Y655 | L624-L628 PolarHBondContact O-N 3.25Å; Q625-L628 PolarHBondContact O-N 3.25Å; L628-H630 PolarHBondContact O-N 3.49Å; L628-H630 VanDerWaalsContact O-N 3.08Å; L628-I637 HydrophobicContact CD2-CG2 4.23Å; L628-A640 HydrophobicContact CD2-CB 3.52Å; L628-A640 HydrophobicContact CG-CB 3.92Å; L628-V641 HydrophobicContact CD1-CG2 4.18Å; L628-V641 HydrophobicContact CD2-CG2 3.97Å; L628-L647 HydrophobicContact CD1-CD1 3.82Å; L628-L647 HydrophobicContact CD1-CD2 3.93Å; L628-W651 HydrophobicContact CB-CH2 3.84Å; L628-W651 HydrophobicContact CD1-CH2 3.79Å; L628-W651 HydrophobicContact CD1-CZ3 3.87Å; L628-W651 HydrophobicContact CG-CH2 4.48Å; L628-Y655 HydrophobicContact CB-CE2 4.35Å; L628-Y655 PolarHBondContact O-OH 2.67Å; L628-Y655 VanDerWaalsContact O-OH 3.07Å |
| 629 | E | 82.2 | Confident | 81.8 | Confident | 64 Ų | 64 | 58 Ų | 58 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.1 | -19.4 | 175.7 | -71.9 | 169.7 | 174.4 | 0 | 0 | 113.5 | Q625 R626 A627 W651 | Q625-E629 WeakPolarHBondContact O-CG 3.36Å; Q625-E629 PolarHBondContact O-N 3.5Å; Q625-E629 VanDerWaalsContact O-N 3.12Å; R626-E629 VanDerWaalsContact CD-OE2 3.31Å; R626-E629 WeakPolarHBondContact CD-OE2 3.39Å; R626-E629 IonicContact CZ-OE2 3.83Å; R626-E629 IonicContact NH1-OE1 2.71Å; R626-E629 PolarHBondContact NH1-OE1 3.16Å; R626-E629 IonicContact NH1-OE2 3.78Å; R626-E629 PolarHBondContact NH1-OE2 3.43Å; R626-E629 PolarHBondContact O-N 3.34Å; A627-E629 PolarHBondContact O-N 3.44Å; E629-W651 HydrophobicContact CG-CZ2 4.02Å; E629-W651 PolarHBondContact OE1-NE1 3.4Å |
| 630 | H | 82.5 | Confident | 81.8 | Confident | 15 Ų | 15 | 55.3 Ų | 55.3 | 7% | 0.069 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -112.5 | -24.3 | -173.1 | -68.5 | 69.5 | 0 | 0 | 0 | 114.1 | Y609 A615 R626 A627 L628 T632 | Y609-H630 AromaticContact CE2-CD2 3.53Å; Y609-H630 AromaticContact CE2-NE2 3.48Å; Y609-H630 WeakPolarHBondContact CE2-NE2 3.43Å; Y609-H630 AromaticContact CZ-CD2 3.93Å; Y609-H630 AromaticContact CZ-NE2 3.42Å; Y609-H630 PolarHBondContact OH-CD2 3.41Å; Y609-H630 PolarHBondContact OH-NE2 3.36Å; A615-H630 HydrophobicContact CB-CB 3.71Å; R626-H630 PolarHBondContact O-N 3.38Å; R626-H630 PolarHBondContact O-ND1 3.14Å; A627-H630 PolarHBondContact O-N 3.41Å; A627-H630 VanDerWaalsContact O-N 3.09Å; L628-H630 PolarHBondContact O-N 3.49Å; L628-H630 VanDerWaalsContact O-N 3.08Å; H630-T632 PolarHBondContact O-N 3.25Å |
| 631 | Y | 82.7 | Confident | 81.9 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | trans | -66.4 | 125.1 | 173.4 | -75.9 | -47.8 | 0 | 0 | 0 | 110.2 | A615 E619 A627 D636 I637 | A615-Y631 HydrophobicContact CB-CD1 3.64Å; A615-Y631 HydrophobicContact CB-CE1 3.44Å; A615-Y631 VanDerWaalsContact CB-CE1 3.44Å; A615-Y631 HydrophobicContact CB-CE2 4.39Å; A615-Y631 HydrophobicContact CB-CG 4.16Å; E619-Y631 PolarHBondContact OE2-OH 3.39Å; A627-Y631 HydrophobicContact CB-CD2 4.16Å; A627-Y631 HydrophobicContact CB-CE2 3.75Å; A627-Y631 WeakPolarHBondContact O-CD2 3.42Å; A627-Y631 PolarHBondContact O-N 3.33Å; Y631-D636 HydrophobicContact CD1-CB 3.68Å; Y631-D636 HydrophobicContact CD2-CB 4.06Å; Y631-D636 HydrophobicContact CE1-CB 4.04Å; Y631-D636 HydrophobicContact CE2-CB 4.35Å; Y631-D636 HydrophobicContact CG-CB 3.72Å; Y631-I637 WeakPolarHBondContact O-CD1 3.34Å | ||
| 632 | T | 77.6 | Confident | 81.9 | Confident | 123 Ų | 123 | 47 Ų | 47 | 76% | 0.755 | 24% | 0.24 | S | C | * | . | trans | -104.6 | -19.9 | 173.8 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | H630 | H630-T632 PolarHBondContact O-N 3.25Š| ||
| 633 | D | 80 | Confident | 81.7 | Confident | 88 Ų | 88 | 46 Ų | 46 | 47% | 0.471 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -79.1 | 123 | 177.6 | -166.7 | -42.9 | 0 | 0 | 0 | 109.8 | Y635 D636 I637 | D633-Y635 PolarHBondContact O-N 3.43Å; D633-Y635 VanDerWaalsContact OD1-CB 3.24Å; D633-Y635 WeakPolarHBondContact OD1-CB 3.2Å; D633-Y635 PolarHBondContact OD1-N 3.09Å; D633-D636 PolarHBondContact O-N 3.47Å; D633-D636 VanDerWaalsContact O-N 3.09Å; D633-I637 WeakPolarHBondContact O-CG1 3.32Å; D633-I637 PolarHBondContact O-N 3.44Å |
| 634 | L | 76.7 | Confident | 81.3 | Confident | 48 Ų | 48 | 45.1 Ų | 45.1 | 25% | 0.251 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.6 | -31.9 | 178.3 | -178.8 | 62.1 | 0 | 0 | 0 | 112.4 | K638 D663 | L634-K638 HydrophobicContact CD1-CD 4.37Å; L634-K638 HydrophobicContact CD1-CG 4.14Å; L634-K638 HydrophobicContact CG-CD 4.12Å; L634-K638 HydrophobicContact CG-CG 4.32Å; L634-K638 VanDerWaalsContact O-CB 3.31Å; L634-K638 WeakPolarHBondContact O-CB 3.5Å; L634-K638 VanDerWaalsContact O-CG 3.28Å; L634-K638 WeakPolarHBondContact O-CG 3.47Å; L634-K638 PolarHBondContact O-N 3.16Å; L634-D663 HydrophobicContact CD1-CB 4.06Å |
| 635 | Y | 80.6 | Confident | 81 | Confident | 164 Ų | 164 | 50.1 Ų | 50.1 | 64% | 0.643 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.7 | -46.6 | 176.8 | 179.3 | -97.9 | 0 | 0 | 0 | 111.7 | D633 R639 | D633-Y635 PolarHBondContact O-N 3.43Å; D633-Y635 VanDerWaalsContact OD1-CB 3.24Å; D633-Y635 WeakPolarHBondContact OD1-CB 3.2Å; D633-Y635 PolarHBondContact OD1-N 3.09Å; Y635-R639 WeakPolarHBondContact O-CB 3.41Å; Y635-R639 PolarHBondContact O-N 2.95Å |
| 636 | D | 81.8 | Confident | 80.6 | Confident | 33 Ų | 33 | 52 Ų | 52 | 18% | 0.176 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.2 | -38.9 | 178.9 | -71.4 | -43.3 | 0 | 0 | 0 | 111.3 | Y631 D633 R639 A640 | Y631-D636 HydrophobicContact CD1-CB 3.68Å; Y631-D636 HydrophobicContact CD2-CB 4.06Å; Y631-D636 HydrophobicContact CE1-CB 4.04Å; Y631-D636 HydrophobicContact CE2-CB 4.35Å; Y631-D636 HydrophobicContact CG-CB 3.72Å; D633-D636 PolarHBondContact O-N 3.47Å; D633-D636 VanDerWaalsContact O-N 3.09Å; D636-R639 PolarHBondContact O-N 3.09Å; D636-R639 IonicContact OD1-CZ 3.86Å; D636-R639 IonicContact OD1-NH1 3.13Å; D636-R639 PolarHBondContact OD1-NH1 2.92Å; D636-R639 IonicContact OD1-NH2 3.03Å; D636-A640 WeakPolarHBondContact O-CB 3.48Å; D636-A640 PolarHBondContact O-N 3.02Å |
| 637 | I | 83.3 | Confident | 80.4 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.4 | -50.3 | 174.6 | -62.9 | 169 | 0 | 0 | 0 | 110.2 | L628 Y631 D633 R639 A640 V641 Y655 L659 | L628-I637 HydrophobicContact CD2-CG2 4.23Å; Y631-I637 WeakPolarHBondContact O-CD1 3.34Å; D633-I637 WeakPolarHBondContact O-CG1 3.32Å; D633-I637 PolarHBondContact O-N 3.44Å; I637-R639 VanDerWaalsContact C-N 3.32Å; I637-R639 PolarHBondContact O-N 3.36Å; I637-A640 PolarHBondContact O-N 3.02Å; I637-V641 HydrophobicContact CG2-CG2 4.28Å; I637-V641 WeakPolarHBondContact O-CB 3.3Å; I637-V641 PolarHBondContact O-N 2.86Å; I637-Y655 HydrophobicContact CG2-CE1 4.47Å; I637-L659 HydrophobicContact CD1-CD2 4.27Å |
| 638 | K | 80.6 | Confident | 80.3 | Confident | 58 Ų | 58 | 53.9 Ų | 53.9 | 25% | 0.252 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.6 | -43.8 | 177.5 | -78.9 | 178.3 | 172.5 | -174.7 | 0 | 111.6 | L634 A640 V642 E666 A670 | L634-K638 HydrophobicContact CD1-CD 4.37Å; L634-K638 HydrophobicContact CD1-CG 4.14Å; L634-K638 HydrophobicContact CG-CD 4.12Å; L634-K638 HydrophobicContact CG-CG 4.32Å; L634-K638 VanDerWaalsContact O-CB 3.31Å; L634-K638 WeakPolarHBondContact O-CB 3.5Å; L634-K638 VanDerWaalsContact O-CG 3.28Å; L634-K638 WeakPolarHBondContact O-CG 3.47Å; L634-K638 PolarHBondContact O-N 3.16Å; K638-A640 VanDerWaalsContact C-N 3.34Å; K638-A640 PolarHBondContact O-N 3.34Å; K638-V642 WeakPolarHBondContact O-CG2 3.24Å; K638-E666 IonicContact NZ-OE2 3.31Å; K638-E666 PolarHBondContact NZ-OE2 3.14Å; K638-A670 HydrophobicContact CG-CB 4.39Å |
| 639 | R | 82.4 | Confident | 80.1 | Confident | 107 Ų | 107 | 57 Ų | 57 | 40% | 0.404 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 178.1 | -171.8 | -178.8 | 77.9 | -135.1 | -0.8 | 111.8 | E619 Y635 D636 I637 | E619-R639 VanDerWaalsContact CD-NH2 3.3Å; E619-R639 IonicContact OE1-CZ 3.13Å; E619-R639 IonicContact OE1-NE 3.95Å; E619-R639 IonicContact OE1-NH2 2.62Å; E619-R639 PolarHBondContact OE1-NH2 2.81Å; E619-R639 IonicContact OE2-CZ 3.42Å; E619-R639 IonicContact OE2-NH2 2.66Å; E619-R639 PolarHBondContact OE2-NH2 2.9Å; Y635-R639 WeakPolarHBondContact O-CB 3.41Å; Y635-R639 PolarHBondContact O-N 2.95Å; D636-R639 PolarHBondContact O-N 3.09Å; D636-R639 IonicContact OD1-CZ 3.86Å; D636-R639 IonicContact OD1-NH1 3.13Å; D636-R639 PolarHBondContact OD1-NH1 2.92Å; D636-R639 IonicContact OD1-NH2 3.03Å; I637-R639 VanDerWaalsContact C-N 3.32Å; I637-R639 PolarHBondContact O-N 3.36Å |
| 640 | A | 81 | Confident | 80.1 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -81.6 | -39.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | L628 D636 I637 K638 V642 S643 | L628-A640 HydrophobicContact CD2-CB 3.52Å; L628-A640 HydrophobicContact CG-CB 3.92Å; D636-A640 WeakPolarHBondContact O-CB 3.48Å; D636-A640 PolarHBondContact O-N 3.02Å; I637-A640 PolarHBondContact O-N 3.02Å; K638-A640 VanDerWaalsContact C-N 3.34Å; K638-A640 PolarHBondContact O-N 3.34Å; A640-V642 VanDerWaalsContact C-N 3.26Å; A640-V642 PolarHBondContact O-N 3.45Å; A640-S643 PolarHBondContact O-N 3.35Å |
| 641 | V | 83.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.1 | -33 | -178.8 | 139 | 0 | 0 | 0 | 0 | 112.8 | L628 I637 S643 T644 L652 Y655 C667 M671 | L628-V641 HydrophobicContact CD1-CG2 4.18Å; L628-V641 HydrophobicContact CD2-CG2 3.97Å; I637-V641 HydrophobicContact CG2-CG2 4.28Å; I637-V641 WeakPolarHBondContact O-CB 3.3Å; I637-V641 PolarHBondContact O-N 2.86Å; V641-S643 PolarHBondContact O-N 3.41Å; V641-T644 VanDerWaalsContact O-CG2 3.32Å; V641-T644 WeakPolarHBondContact O-CG2 3.2Å; V641-L652 HydrophobicContact CG2-CD1 4.19Å; V641-Y655 HydrophobicContact CG2-CE1 4.26Å; V641-C667 HydrophobicContact CG1-CB 4.36Å; V641-M671 HydrophobicContact CG1-CG 3.6Å; V641-M671 HydrophobicContact CG1-SD 3.9Å |
| 642 | V | 81.2 | Confident | 80.3 | Confident | 34 Ų | 34 | 61.6 Ų | 61.6 | 21% | 0.206 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -22.2 | -177.8 | 169.3 | 0 | 0 | 0 | 0 | 112.4 | K638 A640 T644 A670 T674 | K638-V642 WeakPolarHBondContact O-CG2 3.24Å; A640-V642 VanDerWaalsContact C-N 3.26Å; A640-V642 PolarHBondContact O-N 3.45Å; V642-T644 PolarHBondContact O-N 2.98Å; V642-A670 HydrophobicContact CG2-CB 4.17Å; V642-T674 HydrophobicContact CG1-CG2 3.42Å; V642-T674 VanDerWaalsContact CG1-CG2 3.42Å; V642-T674 VanDerWaalsContact CG1-OG1 3.28Å; V642-T674 WeakPolarHBondContact CG1-OG1 3.28Å |
| 643 | S | 76.9 | Confident | 80.6 | Confident | 39 Ų | 39 | 56.3 Ų | 56.3 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | trans | -78.6 | 50.6 | 176.4 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | A640 V641 H645 L646 | A640-S643 PolarHBondContact O-N 3.35Å; V641-S643 PolarHBondContact O-N 3.41Å; S643-H645 PolarHBondContact O-N 3.46Å; S643-H645 VanDerWaalsContact O-N 3.07Å; S643-L646 PolarHBondContact O-N 3.19Å | ||
| 644 | T | 76 | Confident | 80.9 | Confident | 16 Ų | 16 | 56.4 Ų | 56.4 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -57.4 | -27.7 | -171.1 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | V641 V642 L646 L647 L652 M671 N679 | V641-T644 VanDerWaalsContact O-CG2 3.32Å; V641-T644 WeakPolarHBondContact O-CG2 3.2Å; V642-T644 PolarHBondContact O-N 2.98Å; T644-L646 PolarHBondContact O-N 3.31Å; T644-L647 PolarHBondContact O-N 3.01Å; T644-L647 VanDerWaalsContact O-N 3.14Å; T644-L647 VanDerWaalsContact O-O 3.14Å; T644-L652 HydrophobicContact CG2-CD2 4.15Å; T644-M671 HydrophobicContact CG2-CE 3.76Å; T644-N679 WeakPolarHBondContact CB-OD1 3.43Å; T644-N679 VanDerWaalsContact CG2-OD1 3.31Å; T644-N679 WeakPolarHBondContact CG2-OD1 3.45Å; T644-N679 PolarHBondContact OG1-OD1 3Å |
| 645 | H | 75.4 | Confident | 81.2 | Confident | 130 Ų | 130 | 55 Ų | 55 | 60% | 0.602 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -66.3 | -17.5 | 176.6 | 67.2 | -75.5 | 0 | 0 | 0 | 114.7 | S643 | S643-H645 PolarHBondContact O-N 3.46Å; S643-H645 VanDerWaalsContact O-N 3.07Å |
| 646 | L | 77.2 | Confident | 81.4 | Confident | 100 Ų | 100 | 47.4 Ų | 47.4 | 52% | 0.524 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -98.3 | -5.3 | 175.9 | -59.3 | 174.4 | 0 | 0 | 0 | 112.3 | L624 S643 T644 | L624-L646 HydrophobicContact CD1-CB 3.8Å; L624-L646 HydrophobicContact CD1-CD1 3.37Å; L624-L646 HydrophobicContact CD1-CG 4.21Å; S643-L646 PolarHBondContact O-N 3.19Å; T644-L646 PolarHBondContact O-N 3.31Å |
| 647 | L | 80.6 | Confident | 81.4 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -106.2 | 140.9 | -176.9 | -58.8 | 175.6 | 0 | 0 | 0 | 109.7 | L624 Q625 L628 T644 P649 W651 L652 | L624-L647 HydrophobicContact CB-CD2 4.23Å; Q625-L647 HydrophobicContact CG-CD2 3.85Å; L628-L647 HydrophobicContact CD1-CD1 3.82Å; L628-L647 HydrophobicContact CD1-CD2 3.93Å; T644-L647 PolarHBondContact O-N 3.01Å; T644-L647 VanDerWaalsContact O-N 3.14Å; T644-L647 VanDerWaalsContact O-O 3.14Å; L647-P649 WeakPolarHBondContact O-CD 3.42Å; L647-W651 HydrophobicContact CD2-CZ3 4.05Å; L647-L652 HydrophobicContact CD1-CD1 4.06Å; L647-L652 HydrophobicContact CD1-CD2 4.31Å |
| 648 | N | 80.7 | Confident | 81.3 | Confident | 76 Ų | 76 | 51.5 Ų | 51.5 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | trans | -70.4 | 125.1 | 170.5 | 178 | -13.7 | 0 | 0 | 0 | 108.4 | E650 W651 L652 | N648-E650 VanDerWaalsContact C-N 3.28Å; N648-E650 PolarHBondContact O-N 3.36Å; N648-E650 PolarHBondContact OD1-N 3.47Å; N648-W651 HydrophobicContact CB-CB 4.04Å; N648-W651 PolarHBondContact O-N 3.05Å; N648-L652 WeakPolarHBondContact O-CB 3.34Å; N648-L652 PolarHBondContact O-N 3.19Å | ||
| 649 | P | 78.9 | Confident | 81.3 | Confident | 66 Ų | 66 | 50 Ų | 50 | 43% | 0.429 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -54.7 | -39.9 | -179.4 | -26.2 | 33.9 | 0 | 0 | 0 | 113.9 | L647 L652 V653 | L647-P649 WeakPolarHBondContact O-CD 3.42Å; P649-L652 PolarHBondContact O-N 3.02Å; P649-V653 VanDerWaalsContact O-CG2 3.29Å; P649-V653 WeakPolarHBondContact O-CG2 3.26Å; P649-V653 PolarHBondContact O-N 2.8Å |
| 650 | E | 81.8 | Confident | 81.3 | Confident | 144 Ų | 144 | 47.5 Ų | 47.5 | 67% | 0.673 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -69.4 | -41 | -179.3 | -67 | -177.6 | 173.4 | 0 | 0 | 112.1 | N648 L652 V653 N654 | N648-E650 VanDerWaalsContact C-N 3.28Å; N648-E650 PolarHBondContact O-N 3.36Å; N648-E650 PolarHBondContact OD1-N 3.47Å; E650-L652 VanDerWaalsContact C-N 3.33Å; E650-V653 PolarHBondContact O-N 2.9Å; E650-N654 PolarHBondContact O-N 3.31Å; E650-N654 PolarHBondContact O-ND2 2.87Å |
| 651 | W | 85.5 | Confident | 81.3 | Confident | 46 Ų | 46 | 50.5 Ų | 50.5 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 174.5 | 175.7 | 91.5 | 0 | 0 | 0 | 110.4 | Q625 L628 E629 L647 N648 V653 N654 Y655 | Q625-W651 HydrophobicContact CB-CD2 4.45Å; Q625-W651 HydrophobicContact CB-CH2 4.14Å; Q625-W651 HydrophobicContact CB-CZ2 3.9Å; Q625-W651 HydrophobicContact CB-CZ3 4.48Å; Q625-W651 HydrophobicContact CG-CD2 4.06Å; Q625-W651 HydrophobicContact CG-CE3 3.99Å; Q625-W651 HydrophobicContact CG-CH2 4.28Å; Q625-W651 HydrophobicContact CG-CZ2 4.3Å; Q625-W651 HydrophobicContact CG-CZ3 4.11Å; L628-W651 HydrophobicContact CB-CH2 3.84Å; L628-W651 HydrophobicContact CD1-CH2 3.79Å; L628-W651 HydrophobicContact CD1-CZ3 3.87Å; L628-W651 HydrophobicContact CG-CH2 4.48Å; E629-W651 HydrophobicContact CG-CZ2 4.02Å; E629-W651 PolarHBondContact OE1-NE1 3.4Å; L647-W651 HydrophobicContact CD2-CZ3 4.05Å; N648-W651 HydrophobicContact CB-CB 4.04Å; N648-W651 PolarHBondContact O-N 3.05Å; W651-V653 PolarHBondContact O-N 3.48Å; W651-N654 CarbonylContact O-C 2.87Å; W651-N654 PolarHBondContact O-N 3.49Å; W651-Y655 HydrophobicContact CH2-CD1 4.43Å; W651-Y655 AromaticContact CH2-CD2 3.95Å; W651-Y655 HydrophobicContact CH2-CD2 3.95Å; W651-Y655 AromaticContact CH2-CG 3.89Å; W651-Y655 HydrophobicContact CH2-CG 3.89Å; W651-Y655 HydrophobicContact CZ2-CD2 4.04Å; W651-Y655 HydrophobicContact CZ2-CG 4.28Å; W651-Y655 HydrophobicContact CZ3-CG 4.28Å; W651-Y655 WeakPolarHBondContact O-CB 3.27Å; W651-Y655 PolarHBondContact O-N 2.86Å |
| 652 | L | 84.6 | Confident | 81.2 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 179.1 | -175.6 | 57.4 | 0 | 0 | 0 | 110.8 | V641 T644 L647 N648 P649 E650 N654 Y655 F656 M671 V682 | V641-L652 HydrophobicContact CG2-CD1 4.19Å; T644-L652 HydrophobicContact CG2-CD2 4.15Å; L647-L652 HydrophobicContact CD1-CD1 4.06Å; L647-L652 HydrophobicContact CD1-CD2 4.31Å; N648-L652 WeakPolarHBondContact O-CB 3.34Å; N648-L652 PolarHBondContact O-N 3.19Å; P649-L652 PolarHBondContact O-N 3.02Å; E650-L652 VanDerWaalsContact C-N 3.33Å; L652-N654 VanDerWaalsContact C-N 3.3Å; L652-N654 PolarHBondContact O-N 2.64Å; L652-Y655 HydrophobicContact CD1-CD1 4.46Å; L652-Y655 WeakPolarHBondContact O-CB 3.42Å; L652-Y655 PolarHBondContact O-N 3.39Å; L652-F656 HydrophobicContact CD1-CD2 4.22Å; L652-F656 HydrophobicContact CD1-CE2 3.88Å; L652-F656 HydrophobicContact CG-CD2 4.46Å; L652-F656 HydrophobicContact CG-CE2 4.22Å; L652-F656 WeakPolarHBondContact O-CD2 3.24Å; L652-F656 PolarHBondContact O-N 2.66Å; L652-M671 HydrophobicContact CD2-CE 3.93Å; L652-V682 HydrophobicContact CD2-CG1 4.06Å |
| 653 | V | 85.1 | Confident | 81.3 | Confident | 11 Ų | 11 | 57 Ų | 57 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 173.6 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | P649 E650 W651 V682 Q685 I686 K689 Y690 | P649-V653 VanDerWaalsContact O-CG2 3.29Å; P649-V653 WeakPolarHBondContact O-CG2 3.26Å; P649-V653 PolarHBondContact O-N 2.8Å; E650-V653 PolarHBondContact O-N 2.9Å; W651-V653 PolarHBondContact O-N 3.48Å; V653-V682 HydrophobicContact CG2-CG1 4.4Å; V653-Q685 HydrophobicContact CG2-CB 4.1Å; V653-I686 HydrophobicContact CB-CG1 4.47Å; V653-I686 HydrophobicContact CG2-CG1 3.98Å; V653-K689 HydrophobicContact CG1-CB 4.46Å; V653-K689 HydrophobicContact CG1-CD 3.56Å; V653-Y690 HydrophobicContact CG1-CE2 4.3Å; V653-Y690 WeakPolarHBondContact O-CE2 3.21Å; V653-Y690 PolarHBondContact O-OH 3.43Å |
| 654 | N | 84.5 | Confident | 81.8 | Confident | 91 Ų | 91 | 55.2 Ų | 55.2 | 49% | 0.487 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.1 | -36 | 177.1 | -68.6 | -27.2 | 0 | 0 | 0 | 113.1 | E650 W651 L652 F656 G657 K689 | E650-N654 PolarHBondContact O-N 3.31Å; E650-N654 PolarHBondContact O-ND2 2.87Å; W651-N654 CarbonylContact O-C 2.87Å; W651-N654 PolarHBondContact O-N 3.49Å; L652-N654 VanDerWaalsContact C-N 3.3Å; L652-N654 PolarHBondContact O-N 2.64Å; N654-F656 VanDerWaalsContact C-N 3.3Å; N654-F656 PolarHBondContact O-N 3.03Å; N654-G657 PolarHBondContact O-N 3.05Å; N654-K689 PolarHBondContact OD1-NZ 3.17Å |
| 655 | Y | 84.3 | Confident | 82.2 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 8% | 0.075 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.1 | -37.6 | 178.7 | 176.2 | -106.4 | 0 | 0 | 0 | 112.2 | L628 I637 V641 W651 L652 G657 S658 L659 | L628-Y655 HydrophobicContact CB-CE2 4.35Å; L628-Y655 PolarHBondContact O-OH 2.67Å; L628-Y655 VanDerWaalsContact O-OH 3.07Å; I637-Y655 HydrophobicContact CG2-CE1 4.47Å; V641-Y655 HydrophobicContact CG2-CE1 4.26Å; W651-Y655 HydrophobicContact CH2-CD1 4.43Å; W651-Y655 AromaticContact CH2-CD2 3.95Å; W651-Y655 HydrophobicContact CH2-CD2 3.95Å; W651-Y655 AromaticContact CH2-CG 3.89Å; W651-Y655 HydrophobicContact CH2-CG 3.89Å; W651-Y655 HydrophobicContact CZ2-CD2 4.04Å; W651-Y655 HydrophobicContact CZ2-CG 4.28Å; W651-Y655 HydrophobicContact CZ3-CG 4.28Å; W651-Y655 WeakPolarHBondContact O-CB 3.27Å; W651-Y655 PolarHBondContact O-N 2.86Å; L652-Y655 HydrophobicContact CD1-CD1 4.46Å; L652-Y655 WeakPolarHBondContact O-CB 3.42Å; L652-Y655 PolarHBondContact O-N 3.39Å; Y655-G657 PolarHBondContact O-N 3.4Å; Y655-G657 VanDerWaalsContact O-N 3.14Å; Y655-S658 WeakPolarHBondContact O-CB 3.4Å; Y655-S658 PolarHBondContact O-N 2.7Å; Y655-S658 PolarHBondContact O-OG 3.1Å; Y655-L659 HydrophobicContact CD1-CD1 4.23Å; Y655-L659 HydrophobicContact CD1-CG 4.46Å; Y655-L659 HydrophobicContact CE1-CD1 3.82Å; Y655-L659 HydrophobicContact CE1-CD2 4.03Å; Y655-L659 HydrophobicContact CE1-CG 4Å |
| 656 | F | 85 | Confident | 82.7 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.2 | 174.6 | -89.8 | -98.2 | 0 | 0 | 0 | 113.7 | L652 N654 S658 L659 S664 C667 L668 M671 I686 Y690 | L652-F656 HydrophobicContact CD1-CD2 4.22Å; L652-F656 HydrophobicContact CD1-CE2 3.88Å; L652-F656 HydrophobicContact CG-CD2 4.46Å; L652-F656 HydrophobicContact CG-CE2 4.22Å; L652-F656 WeakPolarHBondContact O-CD2 3.24Å; L652-F656 PolarHBondContact O-N 2.66Å; N654-F656 VanDerWaalsContact C-N 3.3Å; N654-F656 PolarHBondContact O-N 3.03Å; F656-S658 PolarHBondContact O-N 2.89Å; F656-L659 HydrophobicContact CD1-CD1 4.19Å; F656-L659 HydrophobicContact CE1-CD1 4.37Å; F656-L659 HydrophobicContact CG-CD1 4.39Å; F656-L659 PolarHBondContact O-N 3.24Å; F656-S664 WeakPolarHBondContact CE1-O 3.47Å; F656-S664 PolarHBondContact O-OG 2.63Å; F656-C667 HydrophobicContact CE1-CB 3.67Å; F656-C667 HydrophobicContact CZ-CB 3.61Å; F656-L668 HydrophobicContact CE1-CD2 4.19Å; F656-L668 HydrophobicContact CE1-CG 3.89Å; F656-L668 HydrophobicContact CZ-CD2 4.4Å; F656-L668 HydrophobicContact CZ-CG 4.48Å; F656-M671 HydrophobicContact CE2-SD 3.91Å; F656-M671 HydrophobicContact CZ-SD 3.69Å; F656-I686 HydrophobicContact CB-CG2 3.93Å; F656-I686 HydrophobicContact CD1-CD1 4.35Å; F656-I686 HydrophobicContact CD1-CG2 3.77Å; F656-I686 HydrophobicContact CD2-CD1 3.52Å; F656-I686 HydrophobicContact CD2-CG1 4.17Å; F656-I686 HydrophobicContact CD2-CG2 4.49Å; F656-I686 HydrophobicContact CE1-CD1 4.32Å; F656-I686 HydrophobicContact CE1-CG2 4.4Å; F656-I686 HydrophobicContact CE2-CD1 3.5Å; F656-I686 HydrophobicContact CG-CD1 3.95Å; F656-I686 HydrophobicContact CG-CG1 4.27Å; F656-I686 HydrophobicContact CG-CG2 3.81Å; F656-I686 HydrophobicContact CZ-CD1 3.92Å; F656-Y690 HydrophobicContact CB-CD2 4.5Å; F656-Y690 HydrophobicContact CB-CE2 4.23Å |
| 657 | G | 81.5 | Confident | 83.1 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -12.1 | 173 | 0 | 0 | 0 | 0 | 0 | 114.4 | N654 Y655 | N654-G657 PolarHBondContact O-N 3.05Å; Y655-G657 PolarHBondContact O-N 3.4Å; Y655-G657 VanDerWaalsContact O-N 3.14Å |
| 658 | S | 80.3 | Confident | 83.4 | Confident | 88 Ų | 88 | 46.8 Ų | 46.8 | 62% | 0.615 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -15.5 | 176.3 | 71.6 | 0 | 0 | 0 | 0 | 113.6 | Y655 F656 | Y655-S658 WeakPolarHBondContact O-CB 3.4Å; Y655-S658 PolarHBondContact O-N 2.7Å; Y655-S658 PolarHBondContact O-OG 3.1Å; F656-S658 PolarHBondContact O-N 2.89Å |
| 659 | L | 81.6 | Confident | 83.6 | Confident | 26 Ų | 26 | 46.7 Ų | 46.7 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -78.3 | 155.6 | 176.4 | -68.3 | 178.1 | 0 | 0 | 0 | 110.5 | I637 Y655 F656 D663 S664 | I637-L659 HydrophobicContact CD1-CD2 4.27Å; Y655-L659 HydrophobicContact CD1-CD1 4.23Å; Y655-L659 HydrophobicContact CD1-CG 4.46Å; Y655-L659 HydrophobicContact CE1-CD1 3.82Å; Y655-L659 HydrophobicContact CE1-CD2 4.03Å; Y655-L659 HydrophobicContact CE1-CG 4Å; F656-L659 HydrophobicContact CD1-CD1 4.19Å; F656-L659 HydrophobicContact CE1-CD1 4.37Å; F656-L659 HydrophobicContact CG-CD1 4.39Å; F656-L659 PolarHBondContact O-N 3.24Å; L659-D663 HydrophobicContact CB-CB 4.43Å; L659-S664 WeakPolarHBondContact CB-OG 3.45Å |
| 660 | S | 82 | Confident | 83.9 | Confident | 54 Ų | 54 | 44.2 Ų | 44.2 | 38% | 0.378 | 24% | 0.244 | S | C | . | . | trans | -66.3 | 162.5 | 168.8 | 78.8 | 0 | 0 | 0 | 0 | 110.5 | D662 D663 S664 | S660-D662 VanDerWaalsContact C-N 3.34Å; S660-D662 PolarHBondContact O-N 2.95Å; S660-D663 WeakPolarHBondContact CB-OD2 3.35Å; S660-D663 PolarHBondContact O-N 3.31Å; S660-D663 WeakPolarHBondContact OG-CB 3.4Å; S660-D663 PolarHBondContact OG-N 2.67Å; S660-D663 PolarHBondContact OG-OD2 2.92Å; S660-S664 VanDerWaalsContact O-CB 3.29Å; S660-S664 WeakPolarHBondContact O-CB 3.38Å; S660-S664 PolarHBondContact O-N 3.07Å; S660-S664 PolarHBondContact O-OG 3.46Å | ||
| 661 | V | 80.9 | Confident | 83.9 | Confident | 66 Ų | 66 | 37.3 Ų | 37.3 | 40% | 0.4 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 178.7 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | S664 L665 Q693 L694 | V661-S664 WeakPolarHBondContact O-CB 3.49Å; V661-S664 PolarHBondContact O-N 3.42Å; V661-L665 HydrophobicContact CG1-CD1 4.33Å; V661-L665 WeakPolarHBondContact O-CG 3.49Å; V661-L665 PolarHBondContact O-N 3.37Å; V661-L665 VanDerWaalsContact O-N 3.08Å; V661-Q693 WeakPolarHBondContact CG2-O 3.28Å; V661-L694 HydrophobicContact CG1-CD2 4.34Å |
| 662 | D | 82 | Confident | 83.9 | Confident | 120 Ų | 120 | 35.3 Ų | 35.3 | 64% | 0.642 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -66 | -43.9 | -179.4 | -64.9 | -37.1 | 0 | 0 | 0 | 111.8 | S660 S664 L665 E666 | S660-D662 VanDerWaalsContact C-N 3.34Å; S660-D662 PolarHBondContact O-N 2.95Å; D662-S664 VanDerWaalsContact C-N 3.3Å; D662-S664 PolarHBondContact O-N 3.17Å; D662-L665 PolarHBondContact O-N 3.05Å; D662-E666 WeakPolarHBondContact O-CB 3.42Å; D662-E666 WeakPolarHBondContact O-CG 3.19Å; D662-E666 PolarHBondContact O-N 3.46Å |
| 663 | D | 83.6 | Confident | 83.9 | Confident | 50 Ų | 50 | 42.4 Ų | 42.4 | 27% | 0.267 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65 | -36.7 | 178.2 | -62.9 | -36.4 | 0 | 0 | 0 | 111.6 | L634 L659 S660 E666 C667 | L634-D663 HydrophobicContact CD1-CB 4.06Å; L659-D663 HydrophobicContact CB-CB 4.43Å; S660-D663 WeakPolarHBondContact CB-OD2 3.35Å; S660-D663 PolarHBondContact O-N 3.31Å; S660-D663 WeakPolarHBondContact OG-CB 3.4Å; S660-D663 PolarHBondContact OG-N 2.67Å; S660-D663 PolarHBondContact OG-OD2 2.92Å; D663-E666 PolarHBondContact O-N 2.85Å; D663-C667 VanDerWaalsContact O-CB 3.31Å; D663-C667 WeakPolarHBondContact O-CB 3.2Å; D663-C667 PolarHBondContact O-N 2.89Å; D663-C667 PolarHBondContact O-SG 3.28Å |
| 664 | S | 85.4 | Confident | 83.7 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 176.6 | -65.5 | 0 | 0 | 0 | 0 | 111.6 | F656 L659 S660 V661 D662 E666 C667 L668 L694 | F656-S664 WeakPolarHBondContact CE1-O 3.47Å; F656-S664 PolarHBondContact O-OG 2.63Å; L659-S664 WeakPolarHBondContact CB-OG 3.45Å; S660-S664 VanDerWaalsContact O-CB 3.29Å; S660-S664 WeakPolarHBondContact O-CB 3.38Å; S660-S664 PolarHBondContact O-N 3.07Å; S660-S664 PolarHBondContact O-OG 3.46Å; V661-S664 WeakPolarHBondContact O-CB 3.49Å; V661-S664 PolarHBondContact O-N 3.42Å; D662-S664 VanDerWaalsContact C-N 3.3Å; D662-S664 PolarHBondContact O-N 3.17Å; S664-E666 VanDerWaalsContact C-N 3.31Å; S664-E666 PolarHBondContact O-N 3.03Å; S664-C667 PolarHBondContact O-N 3.34Å; S664-L668 WeakPolarHBondContact O-CB 3.28Å; S664-L668 WeakPolarHBondContact O-CG 3.14Å; S664-L668 PolarHBondContact O-N 3.45Å; S664-L694 VanDerWaalsContact CB-CD2 3.43Å |
| 665 | L | 85.4 | Confident | 83.5 | Confident | 16 Ų | 16 | 44.7 Ų | 44.7 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 176.8 | -66.5 | 173.7 | 0 | 0 | 0 | 111 | V661 D662 L668 R669 L694 A698 L699 I702 | V661-L665 HydrophobicContact CG1-CD1 4.33Å; V661-L665 WeakPolarHBondContact O-CG 3.49Å; V661-L665 PolarHBondContact O-N 3.37Å; V661-L665 VanDerWaalsContact O-N 3.08Å; D662-L665 PolarHBondContact O-N 3.05Å; L665-L668 PolarHBondContact O-N 3.46Å; L665-R669 WeakPolarHBondContact O-CG 3.32Å; L665-R669 PolarHBondContact O-N 2.99Å; L665-L694 HydrophobicContact CD2-CB 4.3Å; L665-A698 HydrophobicContact CD1-CB 4.06Å; L665-A698 HydrophobicContact CD2-CB 4.13Å; L665-L699 HydrophobicContact CD2-CD2 4.29Å; L665-I702 HydrophobicContact CB-CD1 4.13Å; L665-I702 HydrophobicContact CD2-CD1 3.53Å; L665-I702 HydrophobicContact CG-CD1 4.39Å |
| 666 | E | 85.9 | Confident | 83.3 | Confident | 59 Ų | 59 | 46.8 Ų | 46.8 | 28% | 0.276 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.2 | -36.6 | 177.6 | -81.2 | -55.3 | 133.4 | 0 | 0 | 113.6 | K638 D662 D663 S664 R669 A670 | K638-E666 IonicContact NZ-OE2 3.31Å; K638-E666 PolarHBondContact NZ-OE2 3.14Å; D662-E666 WeakPolarHBondContact O-CB 3.42Å; D662-E666 WeakPolarHBondContact O-CG 3.19Å; D662-E666 PolarHBondContact O-N 3.46Å; D663-E666 PolarHBondContact O-N 2.85Å; S664-E666 VanDerWaalsContact C-N 3.31Å; S664-E666 PolarHBondContact O-N 3.03Å; E666-R669 IonicContact OE1-CZ 2.8Å; E666-R669 IonicContact OE1-NH1 3.42Å; E666-R669 PolarHBondContact OE1-NH1 3.45Å; E666-A670 PolarHBondContact O-N 3.09Å |
| 667 | C | 85.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.7 | -39.3 | 173.2 | -71.1 | 0 | 0 | 0 | 0 | 111.7 | V641 F656 D663 S664 R669 A670 M671 | V641-C667 HydrophobicContact CG1-CB 4.36Å; F656-C667 HydrophobicContact CE1-CB 3.67Å; F656-C667 HydrophobicContact CZ-CB 3.61Å; D663-C667 VanDerWaalsContact O-CB 3.31Å; D663-C667 WeakPolarHBondContact O-CB 3.2Å; D663-C667 PolarHBondContact O-N 2.89Å; D663-C667 PolarHBondContact O-SG 3.28Å; S664-C667 PolarHBondContact O-N 3.34Å; C667-R669 VanDerWaalsContact C-N 3.35Å; C667-R669 PolarHBondContact O-N 3.48Å; C667-A670 PolarHBondContact O-N 2.83Å; C667-M671 WeakPolarHBondContact O-CG 3.33Å; C667-M671 PolarHBondContact O-N 3Å |
| 668 | L | 85.9 | Confident | 82.8 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 173.4 | -76.7 | 174.2 | 0 | 0 | 0 | 111.5 | F656 S664 L665 M671 L672 C683 I686 L694 L699 | F656-L668 HydrophobicContact CE1-CD2 4.19Å; F656-L668 HydrophobicContact CE1-CG 3.89Å; F656-L668 HydrophobicContact CZ-CD2 4.4Å; F656-L668 HydrophobicContact CZ-CG 4.48Å; S664-L668 WeakPolarHBondContact O-CB 3.28Å; S664-L668 WeakPolarHBondContact O-CG 3.14Å; S664-L668 PolarHBondContact O-N 3.45Å; L665-L668 PolarHBondContact O-N 3.46Å; L668-M671 PolarHBondContact O-N 2.91Å; L668-L672 WeakPolarHBondContact O-CG 3.31Å; L668-L672 PolarHBondContact O-N 3.25Å; L668-C683 HydrophobicContact CD2-CB 3.97Å; L668-I686 HydrophobicContact CD1-CG2 4.26Å; L668-I686 HydrophobicContact CD2-CB 4.13Å; L668-I686 HydrophobicContact CD2-CD1 3.93Å; L668-I686 HydrophobicContact CD2-CG2 4Å; L668-I686 HydrophobicContact CG-CG2 4.45Å; L668-L694 HydrophobicContact CD1-CD1 4.14Å; L668-L699 HydrophobicContact CD1-CD2 3.92Å |
| 669 | R | 85.8 | Confident | 83 | Confident | 74 Ų | 74 | 57 Ų | 57 | 28% | 0.279 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.9 | -47.7 | 173.6 | -74.8 | -179.5 | -178.4 | 120.7 | 5.4 | 111.4 | L665 E666 C667 M671 L672 Q673 I702 F706 | L665-R669 WeakPolarHBondContact O-CG 3.32Å; L665-R669 PolarHBondContact O-N 2.99Å; E666-R669 IonicContact OE1-CZ 2.8Å; E666-R669 IonicContact OE1-NH1 3.42Å; E666-R669 PolarHBondContact OE1-NH1 3.45Å; C667-R669 VanDerWaalsContact C-N 3.35Å; C667-R669 PolarHBondContact O-N 3.48Å; R669-M671 PolarHBondContact O-N 3.44Å; R669-L672 PolarHBondContact O-N 2.96Å; R669-Q673 VanDerWaalsContact O-CB 3.23Å; R669-Q673 WeakPolarHBondContact O-CB 3.19Å; R669-Q673 PolarHBondContact O-N 3.36Å; R669-I702 HydrophobicContact CG-CD1 4.37Å; R669-I702 HydrophobicContact CG-CG1 4.25Å; R669-F706 HydrophobicContact CB-CE2 4.48Å; R669-F706 HydrophobicContact CG-CE2 4.32Å |
| 670 | A | 84.6 | Confident | 83.1 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 11% | 0.107 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K638 V642 E666 C667 T674 | K638-A670 HydrophobicContact CG-CB 4.39Å; V642-A670 HydrophobicContact CG2-CB 4.17Å; E666-A670 PolarHBondContact O-N 3.09Å; C667-A670 PolarHBondContact O-N 2.83Å; A670-T674 PolarHBondContact O-N 3.45Å; A670-T674 VanDerWaalsContact O-N 3.12Å; A670-T674 PolarHBondContact O-OG1 2.9Å |
| 671 | M | 82.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63 | -48.4 | 175.7 | -74.8 | 176.6 | 71.5 | 0 | 0 | 111.7 | V641 T644 L652 F656 C667 L668 R669 N675 N679 V682 I686 | V641-M671 HydrophobicContact CG1-CG 3.6Å; V641-M671 HydrophobicContact CG1-SD 3.9Å; T644-M671 HydrophobicContact CG2-CE 3.76Å; L652-M671 HydrophobicContact CD2-CE 3.93Å; F656-M671 HydrophobicContact CE2-SD 3.91Å; F656-M671 HydrophobicContact CZ-SD 3.69Å; C667-M671 WeakPolarHBondContact O-CG 3.33Å; C667-M671 PolarHBondContact O-N 3Å; L668-M671 PolarHBondContact O-N 2.91Å; R669-M671 PolarHBondContact O-N 3.44Å; M671-N675 PolarHBondContact O-N 3.48Å; M671-N679 HydrophobicContact CB-CB 4.26Å; M671-N679 HydrophobicContact CE-CB 4.37Å; M671-N679 PolarHBondContact O-ND2 2.68Å; M671-V682 HydrophobicContact CE-CB 4.23Å; M671-V682 HydrophobicContact CE-CG1 3.93Å; M671-I686 HydrophobicContact CE-CD1 4.46Å; M671-I686 HydrophobicContact SD-CD1 4.42Å |
| 672 | L | 84.5 | Confident | 83.4 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 178 | -69.9 | 173.9 | 0 | 0 | 0 | 111 | L668 R669 T674 I676 L680 C683 I702 F703 F706 | L668-L672 WeakPolarHBondContact O-CG 3.31Å; L668-L672 PolarHBondContact O-N 3.25Å; R669-L672 PolarHBondContact O-N 2.96Å; L672-T674 VanDerWaalsContact C-N 3.29Å; L672-T674 PolarHBondContact O-N 2.85Å; L672-I676 HydrophobicContact CB-CG1 4.49Å; L672-I676 WeakPolarHBondContact O-CG1 3.35Å; L672-I676 PolarHBondContact O-N 3.21Å; L672-L680 HydrophobicContact CD2-CD1 4.23Å; L672-C683 HydrophobicContact CD2-CB 4.04Å; L672-C683 HydrophobicContact CG-CB 4.4Å; L672-I702 HydrophobicContact CD1-CG2 3.64Å; L672-F703 HydrophobicContact CD1-CD1 4.5Å; L672-F703 HydrophobicContact CD1-CE1 4.43Å; L672-F706 HydrophobicContact CB-CD1 4.32Å; L672-F706 HydrophobicContact CB-CD2 3.93Å; L672-F706 HydrophobicContact CB-CE1 4.25Å; L672-F706 HydrophobicContact CB-CE2 3.87Å; L672-F706 HydrophobicContact CB-CG 4.17Å; L672-F706 HydrophobicContact CB-CZ 4.04Å; L672-F706 HydrophobicContact CD1-CD2 3.77Å; L672-F706 HydrophobicContact CD1-CE2 4.1Å; L672-F706 HydrophobicContact CD1-CG 4.47Å |
| 673 | Q | 85.9 | Confident | 83.6 | Confident | 151 Ų | 151 | 53.5 Ų | 53.5 | 71% | 0.706 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -59.5 | -37.6 | -179.5 | -174 | 174.5 | 5.3 | 0 | 0 | 113.1 | R669 F706 | R669-Q673 VanDerWaalsContact O-CB 3.23Å; R669-Q673 WeakPolarHBondContact O-CB 3.19Å; R669-Q673 PolarHBondContact O-N 3.36Å; Q673-F706 HydrophobicContact CB-CE1 3.98Å; Q673-F706 HydrophobicContact CB-CZ 4.13Å |
| 674 | T | 80.4 | Confident | 83.7 | Confident | 88 Ų | 88 | 52 Ų | 52 | 54% | 0.54 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -77.8 | -47.3 | -175.8 | -49.9 | 0 | 0 | 0 | 0 | 112.7 | V642 A670 L672 | V642-T674 HydrophobicContact CG1-CG2 3.42Å; V642-T674 VanDerWaalsContact CG1-CG2 3.42Å; V642-T674 VanDerWaalsContact CG1-OG1 3.28Å; V642-T674 WeakPolarHBondContact CG1-OG1 3.28Å; A670-T674 PolarHBondContact O-N 3.45Å; A670-T674 VanDerWaalsContact O-N 3.12Å; A670-T674 PolarHBondContact O-OG1 2.9Å; L672-T674 VanDerWaalsContact C-N 3.29Å; L672-T674 PolarHBondContact O-N 2.85Å |
| 675 | N | 79.5 | Confident | 83.7 | Confident | 63 Ų | 63 | 56 Ų | 56 | 34% | 0.337 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -156 | 84 | -179.7 | -168.3 | -12.4 | 0 | 0 | 0 | 112.1 | M671 R677 Q678 N679 | M671-N675 PolarHBondContact O-N 3.48Å; N675-R677 VanDerWaalsContact C-N 3.26Å; N675-R677 PolarHBondContact O-N 3.36Å; N675-R677 PolarHBondContact OD1-N 2.95Å; N675-Q678 HydrophobicContact CB-CB 4.38Å; N675-Q678 PolarHBondContact ND2-OE1 3.36Å; N675-Q678 PolarHBondContact O-N 3.41Å; N675-Q678 PolarHBondContact OD1-N 3.3Å; N675-N679 VanDerWaalsContact O-CB 3.3Å; N675-N679 WeakPolarHBondContact O-CB 3.26Å; N675-N679 PolarHBondContact O-N 3.18Å; N675-N679 PolarHBondContact O-ND2 3.31Å |
| 676 | I | 81.1 | Confident | 83.8 | Confident | 63 Ų | 63 | 55.2 Ų | 55.2 | 32% | 0.323 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -51.3 | -44.8 | 177.2 | -61.9 | -178.3 | 0 | 0 | 0 | 111.5 | L672 Q678 N679 L680 F706 | L672-I676 HydrophobicContact CB-CG1 4.49Å; L672-I676 WeakPolarHBondContact O-CG1 3.35Å; L672-I676 PolarHBondContact O-N 3.21Å; I676-Q678 VanDerWaalsContact C-N 3.31Å; I676-Q678 PolarHBondContact O-N 3.47Å; I676-N679 PolarHBondContact O-N 3.3Å; I676-L680 HydrophobicContact CG2-CB 4.48Å; I676-L680 WeakPolarHBondContact O-CB 3.24Å; I676-L680 PolarHBondContact O-N 2.94Å; I676-F706 HydrophobicContact CD1-CB 4.21Å; I676-F706 HydrophobicContact CD1-CD1 4.17Å |
| 677 | R | 76.9 | Confident | 83.7 | Confident | 241 Ų | 241 | 52.4 Ų | 52.4 | 91% | 0.909 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.3 | -38.4 | -173.1 | -70.8 | -174.3 | 180 | 178.9 | 0.7 | 113 | N675 | N675-R677 VanDerWaalsContact C-N 3.26Å; N675-R677 PolarHBondContact O-N 3.36Å; N675-R677 PolarHBondContact OD1-N 2.95Å |
| 678 | Q | 78.8 | Confident | 83.7 | Confident | 101 Ų | 101 | 54.9 Ų | 54.9 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -85.2 | -35.4 | -179.3 | -172.3 | 171.3 | 6.2 | 0 | 0 | 112 | N675 I676 | N675-Q678 HydrophobicContact CB-CB 4.38Å; N675-Q678 PolarHBondContact ND2-OE1 3.36Å; N675-Q678 PolarHBondContact O-N 3.41Å; N675-Q678 PolarHBondContact OD1-N 3.3Å; I676-Q678 VanDerWaalsContact C-N 3.31Å; I676-Q678 PolarHBondContact O-N 3.47Å |
| 679 | N | 84.5 | Confident | 83.6 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.011 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -94.4 | -17.6 | -169.1 | -63.6 | -22.4 | 0 | 0 | 0 | 113.7 | T644 M671 N675 I676 Q681 V682 C683 | T644-N679 WeakPolarHBondContact CB-OD1 3.43Å; T644-N679 VanDerWaalsContact CG2-OD1 3.31Å; T644-N679 WeakPolarHBondContact CG2-OD1 3.45Å; T644-N679 PolarHBondContact OG1-OD1 3Å; M671-N679 HydrophobicContact CB-CB 4.26Å; M671-N679 HydrophobicContact CE-CB 4.37Å; M671-N679 PolarHBondContact O-ND2 2.68Å; N675-N679 VanDerWaalsContact O-CB 3.3Å; N675-N679 WeakPolarHBondContact O-CB 3.26Å; N675-N679 PolarHBondContact O-N 3.18Å; N675-N679 PolarHBondContact O-ND2 3.31Å; I676-N679 PolarHBondContact O-N 3.3Å; N679-Q681 VanDerWaalsContact C-N 3.32Å; N679-Q681 PolarHBondContact O-N 3.07Å; N679-V682 PolarHBondContact O-N 2.98Å; N679-V682 VanDerWaalsContact O-N 3.1Å; N679-C683 PolarHBondContact O-N 3Å; N679-C683 PolarHBondContact O-SG 3.01Å |
| 680 | L | 83.8 | Confident | 83.6 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 15% | 0.152 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -53.7 | -45.7 | -174.5 | -175.8 | 65.7 | 0 | 0 | 0 | 112.8 | L672 I676 V682 C683 V684 F703 | L672-L680 HydrophobicContact CD2-CD1 4.23Å; I676-L680 HydrophobicContact CG2-CB 4.48Å; I676-L680 WeakPolarHBondContact O-CB 3.24Å; I676-L680 PolarHBondContact O-N 2.94Å; L680-V682 VanDerWaalsContact C-N 3.35Å; L680-V682 PolarHBondContact O-N 3.49Å; L680-C683 PolarHBondContact O-N 3.38Å; L680-V684 HydrophobicContact CD1-CG2 4.4Å; L680-V684 HydrophobicContact CG-CG2 4.48Å; L680-V684 VanDerWaalsContact O-CG2 3.28Å; L680-V684 WeakPolarHBondContact O-CG2 3.47Å; L680-V684 PolarHBondContact O-N 3.16Å; L680-F703 HydrophobicContact CD1-CD1 4.44Å; L680-F703 HydrophobicContact CD1-CE1 4.02Å |
| 681 | Q | 83.9 | Confident | 83.5 | Confident | 142 Ų | 142 | 59.2 Ų | 59.2 | 66% | 0.664 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | -178.9 | -172.4 | 179.2 | 2.5 | 0 | 0 | 112 | N679 V684 Q685 | N679-Q681 VanDerWaalsContact C-N 3.32Å; N679-Q681 PolarHBondContact O-N 3.07Å; Q681-V684 PolarHBondContact O-N 3.04Å; Q681-Q685 WeakPolarHBondContact O-CG 3.42Å; Q681-Q685 PolarHBondContact O-N 2.85Å |
| 682 | V | 85.5 | Confident | 83.4 | Confident | 20 Ų | 20 | 67.4 Ų | 67.4 | 12% | 0.121 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.1 | -42.6 | 178.3 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | L652 V653 M671 N679 L680 V684 Q685 I686 | L652-V682 HydrophobicContact CD2-CG1 4.06Å; V653-V682 HydrophobicContact CG2-CG1 4.4Å; M671-V682 HydrophobicContact CE-CB 4.23Å; M671-V682 HydrophobicContact CE-CG1 3.93Å; N679-V682 PolarHBondContact O-N 2.98Å; N679-V682 VanDerWaalsContact O-N 3.1Å; L680-V682 VanDerWaalsContact C-N 3.35Å; L680-V682 PolarHBondContact O-N 3.49Å; V682-V684 VanDerWaalsContact C-N 3.33Å; V682-V684 PolarHBondContact O-N 2.94Å; V682-Q685 PolarHBondContact O-N 2.81Å; V682-I686 HydrophobicContact CG1-CD1 3.94Å; V682-I686 HydrophobicContact CG1-CG1 4.46Å; V682-I686 VanDerWaalsContact O-CG1 3.31Å; V682-I686 WeakPolarHBondContact O-CG1 3.35Å; V682-I686 PolarHBondContact O-N 3.48Å |
| 683 | C | 86.1 | Confident | 83.2 | Confident | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.007 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 175.2 | -66.8 | 0 | 0 | 0 | 0 | 112.2 | L668 L672 N679 L680 I686 A687 | L668-C683 HydrophobicContact CD2-CB 3.97Å; L672-C683 HydrophobicContact CD2-CB 4.04Å; L672-C683 HydrophobicContact CG-CB 4.4Å; N679-C683 PolarHBondContact O-N 3Å; N679-C683 PolarHBondContact O-SG 3.01Å; L680-C683 PolarHBondContact O-N 3.38Å; C683-I686 PolarHBondContact O-N 3.3Å; C683-A687 VanDerWaalsContact O-CB 3.24Å; C683-A687 WeakPolarHBondContact O-CB 3.29Å; C683-A687 PolarHBondContact O-N 3.13Å |
| 684 | V | 85.6 | Confident | 83 | Confident | 20 Ų | 20 | 66.5 Ų | 66.5 | 12% | 0.121 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 174.4 | 172 | 0 | 0 | 0 | 0 | 111 | L680 Q681 V682 A687 T688 F703 | L680-V684 HydrophobicContact CD1-CG2 4.4Å; L680-V684 HydrophobicContact CG-CG2 4.48Å; L680-V684 VanDerWaalsContact O-CG2 3.28Å; L680-V684 WeakPolarHBondContact O-CG2 3.47Å; L680-V684 PolarHBondContact O-N 3.16Å; Q681-V684 PolarHBondContact O-N 3.04Å; V682-V684 VanDerWaalsContact C-N 3.33Å; V682-V684 PolarHBondContact O-N 2.94Å; V684-A687 PolarHBondContact O-N 3.2Å; V684-T688 WeakPolarHBondContact O-CB 3.39Å; V684-T688 PolarHBondContact O-N 3.34Å; V684-T688 PolarHBondContact O-OG1 3.37Å; V684-T688 VanDerWaalsContact O-OG1 3.09Å; V684-F703 HydrophobicContact CG2-CE1 4.19Å; V684-F703 HydrophobicContact CG2-CZ 3.97Å |
| 685 | Q | 85.1 | Confident | 83.1 | Confident | 86 Ų | 86 | 63.7 Ų | 63.7 | 40% | 0.402 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 176.5 | -74.1 | 177.7 | -2.4 | 0 | 0 | 112.9 | V653 Q681 V682 K689 | V653-Q685 HydrophobicContact CG2-CB 4.1Å; Q681-Q685 WeakPolarHBondContact O-CG 3.42Å; Q681-Q685 PolarHBondContact O-N 2.85Å; V682-Q685 PolarHBondContact O-N 2.81Å; Q685-K689 WeakPolarHBondContact O-CB 3.15Å; Q685-K689 PolarHBondContact O-N 3.08Å |
| 686 | I | 86.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.8 | -49.1 | 174.3 | -65.7 | 162.3 | 0 | 0 | 0 | 109.7 | V653 F656 L668 M671 V682 C683 T688 K689 Y690 L694 | V653-I686 HydrophobicContact CB-CG1 4.47Å; V653-I686 HydrophobicContact CG2-CG1 3.98Å; F656-I686 HydrophobicContact CB-CG2 3.93Å; F656-I686 HydrophobicContact CD1-CD1 4.35Å; F656-I686 HydrophobicContact CD1-CG2 3.77Å; F656-I686 HydrophobicContact CD2-CD1 3.52Å; F656-I686 HydrophobicContact CD2-CG1 4.17Å; F656-I686 HydrophobicContact CD2-CG2 4.49Å; F656-I686 HydrophobicContact CE1-CD1 4.32Å; F656-I686 HydrophobicContact CE1-CG2 4.4Å; F656-I686 HydrophobicContact CE2-CD1 3.5Å; F656-I686 HydrophobicContact CG-CD1 3.95Å; F656-I686 HydrophobicContact CG-CG1 4.27Å; F656-I686 HydrophobicContact CG-CG2 3.81Å; F656-I686 HydrophobicContact CZ-CD1 3.92Å; L668-I686 HydrophobicContact CD1-CG2 4.26Å; L668-I686 HydrophobicContact CD2-CB 4.13Å; L668-I686 HydrophobicContact CD2-CD1 3.93Å; L668-I686 HydrophobicContact CD2-CG2 4Å; L668-I686 HydrophobicContact CG-CG2 4.45Å; M671-I686 HydrophobicContact CE-CD1 4.46Å; M671-I686 HydrophobicContact SD-CD1 4.42Å; V682-I686 HydrophobicContact CG1-CD1 3.94Å; V682-I686 HydrophobicContact CG1-CG1 4.46Å; V682-I686 VanDerWaalsContact O-CG1 3.31Å; V682-I686 WeakPolarHBondContact O-CG1 3.35Å; V682-I686 PolarHBondContact O-N 3.48Å; C683-I686 PolarHBondContact O-N 3.3Å; I686-T688 PolarHBondContact O-N 2.86Å; I686-K689 PolarHBondContact O-N 3.31Å; I686-Y690 HydrophobicContact CG2-CD2 4.18Å; I686-Y690 WeakPolarHBondContact O-CD2 3.18Å; I686-Y690 PolarHBondContact O-N 3.01Å; I686-L694 HydrophobicContact CG2-CD1 4.35Å |
| 687 | A | 85.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.2 | -49.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | C683 V684 K689 H691 L699 F703 F715 | C683-A687 VanDerWaalsContact O-CB 3.24Å; C683-A687 WeakPolarHBondContact O-CB 3.29Å; C683-A687 PolarHBondContact O-N 3.13Å; V684-A687 PolarHBondContact O-N 3.2Å; A687-K689 PolarHBondContact O-N 3.23Å; A687-H691 VanDerWaalsContact O-CA 3.3Å; A687-H691 WeakPolarHBondContact O-CA 3.5Å; A687-H691 WeakPolarHBondContact O-CB 3.35Å; A687-H691 PolarHBondContact O-N 3.16Å; A687-L699 HydrophobicContact CB-CD1 3.97Å; A687-L699 HydrophobicContact CB-CD2 3.99Å; A687-F703 HydrophobicContact CB-CE2 4.09Å; A687-F703 HydrophobicContact CB-CZ 4.29Å; A687-F715 HydrophobicContact CB-CD2 3.61Å; A687-F715 HydrophobicContact CB-CE2 3.77Å; A687-F715 HydrophobicContact CB-CG 4.29Å |
| 688 | T | 85.3 | Confident | 83.6 | Confident | 51 Ų | 51 | 52.4 Ų | 52.4 | 31% | 0.313 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61 | -43 | 178.2 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | V684 I686 H691 S718 | V684-T688 WeakPolarHBondContact O-CB 3.39Å; V684-T688 PolarHBondContact O-N 3.34Å; V684-T688 PolarHBondContact O-OG1 3.37Å; V684-T688 VanDerWaalsContact O-OG1 3.09Å; I686-T688 PolarHBondContact O-N 2.86Å; T688-H691 PolarHBondContact O-ND1 3.32Å; T688-S718 WeakPolarHBondContact CG2-OG 3.47Å; T688-S718 PolarHBondContact OG1-OG 2.95Å; T688-S718 VanDerWaalsContact OG1-OG 3.05Å |
| 689 | K | 84.3 | Confident | 83.9 | Confident | 111 Ų | 111 | 47.6 Ų | 47.6 | 48% | 0.483 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71.8 | -36.8 | -176.2 | -170.9 | 174.8 | -180 | 173.8 | 0 | 113.3 | V653 N654 Q685 I686 A687 | V653-K689 HydrophobicContact CG1-CB 4.46Å; V653-K689 HydrophobicContact CG1-CD 3.56Å; N654-K689 PolarHBondContact OD1-NZ 3.17Å; Q685-K689 WeakPolarHBondContact O-CB 3.15Å; Q685-K689 PolarHBondContact O-N 3.08Å; I686-K689 PolarHBondContact O-N 3.31Å; A687-K689 PolarHBondContact O-N 3.23Å |
| 690 | Y | 85.5 | Confident | 83.9 | Confident | 26 Ų | 26 | 47.9 Ų | 47.9 | 10% | 0.102 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -116.1 | 18.6 | -174.5 | -55 | -77.9 | 0 | 0 | 0 | 114.1 | V653 F656 I686 E692 Q693 L694 | V653-Y690 HydrophobicContact CG1-CE2 4.3Å; V653-Y690 WeakPolarHBondContact O-CE2 3.21Å; V653-Y690 PolarHBondContact O-OH 3.43Å; F656-Y690 HydrophobicContact CB-CD2 4.5Å; F656-Y690 HydrophobicContact CB-CE2 4.23Å; I686-Y690 HydrophobicContact CG2-CD2 4.18Å; I686-Y690 WeakPolarHBondContact O-CD2 3.18Å; I686-Y690 PolarHBondContact O-N 3.01Å; Y690-E692 PolarHBondContact O-N 2.89Å; Y690-Q693 PolarHBondContact O-N 3.06Å; Y690-L694 WeakPolarHBondContact O-CG 3.07Å; Y690-L694 PolarHBondContact O-N 2.99Å |
| 691 | H | 82.4 | Confident | 84 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 21% | 0.208 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.5 | -35.3 | -177.5 | 66.4 | -75 | 0 | 0 | 0 | 114.2 | A687 T688 Q693 G695 L699 F715 | A687-H691 VanDerWaalsContact O-CA 3.3Å; A687-H691 WeakPolarHBondContact O-CA 3.5Å; A687-H691 WeakPolarHBondContact O-CB 3.35Å; A687-H691 PolarHBondContact O-N 3.16Å; T688-H691 PolarHBondContact O-ND1 3.32Å; H691-Q693 VanDerWaalsContact C-N 3.29Å; H691-Q693 PolarHBondContact O-N 3.07Å; H691-G695 WeakPolarHBondContact O-CA 3.35Å; H691-G695 PolarHBondContact O-N 3.22Å; H691-L699 HydrophobicContact CB-CD1 4.02Å; H691-F715 HydrophobicContact CB-CE2 3.86Å; H691-F715 HydrophobicContact CB-CZ 3.93Å |
| 692 | E | 80.9 | Confident | 84 | Confident | 172 Ų | 172 | 45.8 Ų | 45.8 | 80% | 0.804 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -64.3 | -33.6 | 177.8 | -64 | -175.1 | 167.5 | 0 | 0 | 112.4 | Y690 | Y690-E692 PolarHBondContact O-N 2.89Å |
| 693 | Q | 80.7 | Confident | 84.1 | Confident | 124 Ų | 124 | 45 Ų | 45 | 58% | 0.579 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -88.3 | -40.2 | -178.7 | -64.1 | 170.7 | 1 | 0 | 0 | 111.7 | V661 Y690 H691 | V661-Q693 WeakPolarHBondContact CG2-O 3.28Å; Y690-Q693 PolarHBondContact O-N 3.06Å; H691-Q693 VanDerWaalsContact C-N 3.29Å; H691-Q693 PolarHBondContact O-N 3.07Å |
| 694 | L | 81.4 | Confident | 84 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -78.8 | -19 | -177.7 | -62.4 | 179 | 0 | 0 | 0 | 113.3 | V661 S664 L665 L668 I686 Y690 L699 | V661-L694 HydrophobicContact CG1-CD2 4.34Å; S664-L694 VanDerWaalsContact CB-CD2 3.43Å; L665-L694 HydrophobicContact CD2-CB 4.3Å; L668-L694 HydrophobicContact CD1-CD1 4.14Å; I686-L694 HydrophobicContact CG2-CD1 4.35Å; Y690-L694 WeakPolarHBondContact O-CG 3.07Å; Y690-L694 PolarHBondContact O-N 2.99Å; L694-L699 HydrophobicContact CB-CD1 4.1Å; L694-L699 HydrophobicContact CB-CD2 4.33Å; L694-L699 HydrophobicContact CB-CG 4.22Å; L694-L699 HydrophobicContact CD1-CD2 4.16Å |
| 695 | G | 81.3 | Confident | 84 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | trans | 83 | 123.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H691 N697 A698 L699 | H691-G695 WeakPolarHBondContact O-CA 3.35Å; H691-G695 PolarHBondContact O-N 3.22Å; G695-N697 VanDerWaalsContact C-N 3.31Å; G695-N697 PolarHBondContact O-N 3.35Å; G695-A698 PolarHBondContact O-N 3.43Å; G695-L699 WeakPolarHBondContact O-CG 3.31Å; G695-L699 PolarHBondContact O-N 3.04Å | ||
| 696 | T | 82.1 | Confident | 83.9 | Confident | 20 Ų | 20 | 49 Ų | 49 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.8 | -44.3 | 178.6 | 46.7 | 0 | 0 | 0 | 0 | 111.9 | L699 I700 I719 E725 | T696-L699 PolarHBondContact O-N 3.06Å; T696-I700 VanDerWaalsContact O-CG1 3.24Å; T696-I700 WeakPolarHBondContact O-CG1 3.16Å; T696-I700 PolarHBondContact O-N 3.36Å; T696-I719 HydrophobicContact CG2-CD1 4.01Å; T696-E725 PolarHBondContact OG1-OE2 3.31Å |
| 697 | N | 83.2 | Confident | 83.7 | Confident | 86 Ų | 86 | 57.1 Ų | 57.1 | 46% | 0.46 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | -179.8 | -69.7 | -28.2 | 0 | 0 | 0 | 113.5 | G695 L699 I700 E701 | G695-N697 VanDerWaalsContact C-N 3.31Å; G695-N697 PolarHBondContact O-N 3.35Å; N697-L699 VanDerWaalsContact C-N 3.32Å; N697-L699 PolarHBondContact O-N 3.42Å; N697-I700 PolarHBondContact O-N 3.1Å; N697-E701 PolarHBondContact O-N 3.25Å |
| 698 | A | 82.9 | Confident | 83.6 | Confident | 24 Ų | 24 | 57.9 Ų | 57.9 | 20% | 0.198 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L665 G695 E701 I702 | L665-A698 HydrophobicContact CD1-CB 4.06Å; L665-A698 HydrophobicContact CD2-CB 4.13Å; G695-A698 PolarHBondContact O-N 3.43Å; A698-E701 PolarHBondContact O-N 3.17Å; A698-I702 VanDerWaalsContact O-CG1 3.3Å; A698-I702 WeakPolarHBondContact O-CG1 3.45Å; A698-I702 PolarHBondContact O-N 3.07Å |
| 699 | L | 85.3 | Confident | 83.4 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.4 | -40.5 | 175 | -67.7 | 171.5 | 0 | 0 | 0 | 112.1 | L665 L668 A687 H691 L694 G695 T696 N697 E701 I702 F703 F715 | L665-L699 HydrophobicContact CD2-CD2 4.29Å; L668-L699 HydrophobicContact CD1-CD2 3.92Å; A687-L699 HydrophobicContact CB-CD1 3.97Å; A687-L699 HydrophobicContact CB-CD2 3.99Å; H691-L699 HydrophobicContact CB-CD1 4.02Å; L694-L699 HydrophobicContact CB-CD1 4.1Å; L694-L699 HydrophobicContact CB-CD2 4.33Å; L694-L699 HydrophobicContact CB-CG 4.22Å; L694-L699 HydrophobicContact CD1-CD2 4.16Å; G695-L699 WeakPolarHBondContact O-CG 3.31Å; G695-L699 PolarHBondContact O-N 3.04Å; T696-L699 PolarHBondContact O-N 3.06Å; N697-L699 VanDerWaalsContact C-N 3.32Å; N697-L699 PolarHBondContact O-N 3.42Å; L699-E701 VanDerWaalsContact C-N 3.34Å; L699-I702 PolarHBondContact O-N 2.94Å; L699-F703 WeakPolarHBondContact O-CD2 3.37Å; L699-F703 PolarHBondContact O-N 3.02Å; L699-F715 HydrophobicContact CB-CE1 3.81Å; L699-F715 HydrophobicContact CB-CZ 3.96Å; L699-F715 HydrophobicContact CD1-CE1 4.23Å; L699-F715 HydrophobicContact CD1-CE2 3.91Å; L699-F715 HydrophobicContact CD1-CZ 3.5Å; L699-F715 HydrophobicContact CG-CZ 4.39Å |
| 700 | I | 84.7 | Confident | 83.3 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.6 | -49.6 | 172.9 | -69.8 | 165.1 | 0 | 0 | 0 | 109.8 | T696 N697 I702 F703 E704 L712 L716 K731 | T696-I700 VanDerWaalsContact O-CG1 3.24Å; T696-I700 WeakPolarHBondContact O-CG1 3.16Å; T696-I700 PolarHBondContact O-N 3.36Å; N697-I700 PolarHBondContact O-N 3.1Å; I700-I702 VanDerWaalsContact C-N 3.33Å; I700-I702 PolarHBondContact O-N 3.49Å; I700-F703 PolarHBondContact O-N 3.33Å; I700-E704 HydrophobicContact CG2-CG 4.28Å; I700-E704 WeakPolarHBondContact O-CB 3.44Å; I700-E704 WeakPolarHBondContact O-CG 3.29Å; I700-E704 PolarHBondContact O-N 3.36Å; I700-L712 HydrophobicContact CB-CD1 4.18Å; I700-L712 HydrophobicContact CG1-CD1 3.97Å; I700-L712 HydrophobicContact CG2-CD1 4.11Å; I700-L716 HydrophobicContact CD1-CD2 4.17Å; I700-L716 HydrophobicContact CG1-CD2 4.02Å; I700-K731 HydrophobicContact CG2-CD 4.42Å; I700-K731 HydrophobicContact CG2-CG 4.38Å |
| 701 | E | 85 | Confident | 83.3 | Confident | 124 Ų | 124 | 57.6 Ų | 57.6 | 58% | 0.579 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.9 | -41.3 | 179.9 | -169.8 | -175.7 | 173.7 | 0 | 0 | 112 | N697 A698 L699 E704 S705 | N697-E701 PolarHBondContact O-N 3.25Å; A698-E701 PolarHBondContact O-N 3.17Å; L699-E701 VanDerWaalsContact C-N 3.34Å; E701-E704 PolarHBondContact O-N 3.09Å; E701-S705 VanDerWaalsContact O-CB 3.28Å; E701-S705 WeakPolarHBondContact O-CB 3.49Å; E701-S705 PolarHBondContact O-N 2.86Å; E701-S705 PolarHBondContact O-OG 3.49Å |
| 702 | I | 85.5 | Confident | 83.4 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.9 | -53.6 | 175.6 | -71.6 | 170.5 | 0 | 0 | 0 | 110.3 | L665 R669 L672 A698 L699 I700 E704 S705 F706 | L665-I702 HydrophobicContact CB-CD1 4.13Å; L665-I702 HydrophobicContact CD2-CD1 3.53Å; L665-I702 HydrophobicContact CG-CD1 4.39Å; R669-I702 HydrophobicContact CG-CD1 4.37Å; R669-I702 HydrophobicContact CG-CG1 4.25Å; L672-I702 HydrophobicContact CD1-CG2 3.64Å; A698-I702 VanDerWaalsContact O-CG1 3.3Å; A698-I702 WeakPolarHBondContact O-CG1 3.45Å; A698-I702 PolarHBondContact O-N 3.07Å; L699-I702 PolarHBondContact O-N 2.94Å; I700-I702 VanDerWaalsContact C-N 3.33Å; I700-I702 PolarHBondContact O-N 3.49Å; I702-E704 VanDerWaalsContact C-N 3.3Å; I702-E704 PolarHBondContact O-N 3.47Å; I702-S705 PolarHBondContact O-N 3.49Å; I702-S705 PolarHBondContact O-OG 2.89Å; I702-F706 HydrophobicContact CG2-CD2 4.23Å; I702-F706 HydrophobicContact CG2-CE2 4.29Å; I702-F706 VanDerWaalsContact O-CD2 3.28Å; I702-F706 WeakPolarHBondContact O-CD2 3.38Å; I702-F706 PolarHBondContact O-N 3.06Å |
| 703 | F | 87.4 | Confident | 83.6 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 2% | 0.022 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64 | -34.9 | -179.4 | -72.7 | -62.1 | 0 | 0 | 0 | 112.9 | L672 L680 V684 A687 L699 I700 K707 S708 L712 F715 | L672-F703 HydrophobicContact CD1-CD1 4.5Å; L672-F703 HydrophobicContact CD1-CE1 4.43Å; L680-F703 HydrophobicContact CD1-CD1 4.44Å; L680-F703 HydrophobicContact CD1-CE1 4.02Å; V684-F703 HydrophobicContact CG2-CE1 4.19Å; V684-F703 HydrophobicContact CG2-CZ 3.97Å; A687-F703 HydrophobicContact CB-CE2 4.09Å; A687-F703 HydrophobicContact CB-CZ 4.29Å; L699-F703 WeakPolarHBondContact O-CD2 3.37Å; L699-F703 PolarHBondContact O-N 3.02Å; I700-F703 PolarHBondContact O-N 3.33Å; F703-K707 PolarHBondContact O-N 3.01Å; F703-S708 PolarHBondContact O-N 3.04Å; F703-L712 HydrophobicContact CB-CB 4.18Å; F703-L712 HydrophobicContact CB-CD1 4.11Å; F703-F715 HydrophobicContact CD2-CD1 4.33Å; F703-F715 HydrophobicContact CE2-CB 4.01Å; F703-F715 HydrophobicContact CE2-CD1 4.18Å; F703-F715 HydrophobicContact CE2-CG 4.06Å |
| 704 | E | 84.4 | Confident | 83.8 | Confident | 59 Ų | 59 | 50 Ų | 50 | 28% | 0.276 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -68.4 | -40.3 | 175 | -73.6 | -167.2 | 146.2 | 0 | 0 | 112.5 | I700 E701 I702 F706 K707 L712 K731 | I700-E704 HydrophobicContact CG2-CG 4.28Å; I700-E704 WeakPolarHBondContact O-CB 3.44Å; I700-E704 WeakPolarHBondContact O-CG 3.29Å; I700-E704 PolarHBondContact O-N 3.36Å; E701-E704 PolarHBondContact O-N 3.09Å; I702-E704 VanDerWaalsContact C-N 3.3Å; I702-E704 PolarHBondContact O-N 3.47Å; E704-F706 PolarHBondContact O-N 3.46Å; E704-K707 WeakPolarHBondContact O-CA 3.39Å; E704-K707 PolarHBondContact O-N 2.99Å; E704-L712 HydrophobicContact CG-CD2 4.2Å; E704-K731 IonicContact OE1-NZ 2.93Å; E704-K731 PolarHBondContact OE1-NZ 3.38Å; E704-K731 IonicContact OE2-NZ 2.7Å; E704-K731 PolarHBondContact OE2-NZ 3.07Å |
| 705 | S | 83.9 | Confident | 84.1 | Confident | 75 Ų | 75 | 49.5 Ų | 49.5 | 52% | 0.524 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.5 | -35.6 | 178.3 | 73 | 0 | 0 | 0 | 0 | 112.1 | E701 I702 K707 | E701-S705 VanDerWaalsContact O-CB 3.28Å; E701-S705 WeakPolarHBondContact O-CB 3.49Å; E701-S705 PolarHBondContact O-N 2.86Å; E701-S705 PolarHBondContact O-OG 3.49Å; I702-S705 PolarHBondContact O-N 3.49Å; I702-S705 PolarHBondContact O-OG 2.89Å; S705-K707 VanDerWaalsContact C-N 3.33Å |
| 706 | F | 83.4 | Confident | 84.2 | Confident | 55 Ų | 55 | 48.1 Ų | 48.1 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 6.2 | 173.9 | -68.6 | -77 | 0 | 0 | 0 | 113.7 | R669 L672 Q673 I676 I702 E704 S708 | R669-F706 HydrophobicContact CB-CE2 4.48Å; R669-F706 HydrophobicContact CG-CE2 4.32Å; L672-F706 HydrophobicContact CB-CD1 4.32Å; L672-F706 HydrophobicContact CB-CD2 3.93Å; L672-F706 HydrophobicContact CB-CE1 4.25Å; L672-F706 HydrophobicContact CB-CE2 3.87Å; L672-F706 HydrophobicContact CB-CG 4.17Å; L672-F706 HydrophobicContact CB-CZ 4.04Å; L672-F706 HydrophobicContact CD1-CD2 3.77Å; L672-F706 HydrophobicContact CD1-CE2 4.1Å; L672-F706 HydrophobicContact CD1-CG 4.47Å; Q673-F706 HydrophobicContact CB-CE1 3.98Å; Q673-F706 HydrophobicContact CB-CZ 4.13Å; I676-F706 HydrophobicContact CD1-CB 4.21Å; I676-F706 HydrophobicContact CD1-CD1 4.17Å; I702-F706 HydrophobicContact CG2-CD2 4.23Å; I702-F706 HydrophobicContact CG2-CE2 4.29Å; I702-F706 VanDerWaalsContact O-CD2 3.28Å; I702-F706 WeakPolarHBondContact O-CD2 3.38Å; I702-F706 PolarHBondContact O-N 3.06Å; E704-F706 PolarHBondContact O-N 3.46Å; F706-S708 PolarHBondContact O-N 2.87Å |
| 707 | K | 82.3 | Confident | 84.3 | Confident | 172 Ų | 172 | 48.2 Ų | 48.2 | 75% | 0.748 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 29.1 | -178.6 | -59 | 179.9 | -179.6 | 176.1 | 0 | 114.2 | F703 E704 S705 F709 | F703-K707 PolarHBondContact O-N 3.01Å; E704-K707 WeakPolarHBondContact O-CA 3.39Å; E704-K707 PolarHBondContact O-N 2.99Å; S705-K707 VanDerWaalsContact C-N 3.33Å; K707-F709 PolarHBondContact O-N 3.41Å |
| 708 | S | 83.6 | Confident | 84.2 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 11% | 0.105 | 23% | 0.231 | C | C | . | . | trans | -91.9 | 77.4 | -178.5 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | F703 F706 E710 G711 L712 | F703-S708 PolarHBondContact O-N 3.04Å; F706-S708 PolarHBondContact O-N 2.87Å; S708-E710 PolarHBondContact O-N 2.93Å; S708-G711 PolarHBondContact O-N 2.89Å; S708-G711 PolarHBondContact OG-N 3.06Å; S708-L712 PolarHBondContact O-N 2.96Å | ||
| 709 | F | 82.2 | Confident | 84.1 | Confident | 58 Ų | 58 | 45.5 Ų | 45.5 | 25% | 0.254 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.6 | -25.7 | 176 | -64.3 | -70.6 | 0 | 0 | 0 | 112.7 | K707 L712 F713 K738 T739 | K707-F709 PolarHBondContact O-N 3.41Å; F709-L712 HydrophobicContact CD1-CD2 4.48Å; F709-F713 VanDerWaalsContact O-CB 3.23Å; F709-F713 WeakPolarHBondContact O-CB 3.22Å; F709-F713 PolarHBondContact O-N 3.21Å; F709-K738 HydrophobicContact CD1-CD 3.87Å; F709-K738 HydrophobicContact CD2-CD 4.15Å; F709-K738 HydrophobicContact CE1-CD 3.72Å; F709-K738 HydrophobicContact CE2-CD 4Å; F709-K738 HydrophobicContact CG-CD 4.1Å; F709-K738 HydrophobicContact CZ-CD 3.81Å; F709-T739 HydrophobicContact CB-CG2 4.43Å |
| 710 | E | 82.3 | Confident | 83.8 | Confident | 125 Ų | 125 | 45.5 Ų | 45.5 | 58% | 0.584 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -66.5 | -47.5 | 171.6 | -67.9 | -175.4 | 168.9 | 0 | 0 | 111.3 | S708 L712 F713 Y714 | S708-E710 PolarHBondContact O-N 2.93Å; E710-L712 VanDerWaalsContact C-N 3.32Å; E710-L712 PolarHBondContact O-N 3.48Å; E710-F713 PolarHBondContact O-N 3.02Å; E710-Y714 HydrophobicContact CB-CE2 4.45Å; E710-Y714 WeakPolarHBondContact O-CD2 3.43Å; E710-Y714 PolarHBondContact O-N 3.41Å |
| 711 | G | 83.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59 | -44.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S708 Y714 F715 | S708-G711 PolarHBondContact O-N 2.89Å; S708-G711 PolarHBondContact OG-N 3.06Å; G711-Y714 PolarHBondContact O-N 3.48Å; G711-F715 VanDerWaalsContact O-CB 3.24Å; G711-F715 WeakPolarHBondContact O-CB 3.48Å; G711-F715 PolarHBondContact O-N 3.46Å |
| 712 | L | 85.3 | Confident | 83.3 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 175.4 | -167.1 | 69.9 | 0 | 0 | 0 | 111.7 | I700 F703 E704 S708 F709 E710 L716 A735 | I700-L712 HydrophobicContact CB-CD1 4.18Å; I700-L712 HydrophobicContact CG1-CD1 3.97Å; I700-L712 HydrophobicContact CG2-CD1 4.11Å; F703-L712 HydrophobicContact CB-CB 4.18Å; F703-L712 HydrophobicContact CB-CD1 4.11Å; E704-L712 HydrophobicContact CG-CD2 4.2Å; S708-L712 PolarHBondContact O-N 2.96Å; F709-L712 HydrophobicContact CD1-CD2 4.48Å; E710-L712 VanDerWaalsContact C-N 3.32Å; E710-L712 PolarHBondContact O-N 3.48Å; L712-L716 HydrophobicContact CD1-CD1 3.93Å; L712-L716 HydrophobicContact CD1-CG 4.05Å; L712-L716 HydrophobicContact CD2-CD1 4.32Å; L712-L716 HydrophobicContact CG-CD1 3.75Å; L712-L716 HydrophobicContact CG-CG 4.12Å; L712-L716 WeakPolarHBondContact O-CB 3.35Å; L712-L716 WeakPolarHBondContact O-CG 3.32Å; L712-L716 PolarHBondContact O-N 3.31Å; L712-A735 HydrophobicContact CD2-CB 4.23Å; L712-A735 HydrophobicContact CG-CB 4.47Å |
| 713 | F | 85.6 | Confident | 82.9 | Confident | 32 Ų | 32 | 53 Ų | 53 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 177.7 | 175.9 | -104.4 | 0 | 0 | 0 | 112.1 | F709 E710 G717 Y732 A735 A736 T739 Q741 E744 | F709-F713 VanDerWaalsContact O-CB 3.23Å; F709-F713 WeakPolarHBondContact O-CB 3.22Å; F709-F713 PolarHBondContact O-N 3.21Å; E710-F713 PolarHBondContact O-N 3.02Å; F713-G717 PolarHBondContact O-N 3.42Å; F713-Y732 HydrophobicContact CD2-CD2 4.31Å; F713-Y732 AromaticContact CD2-CE2 3.75Å; F713-Y732 HydrophobicContact CD2-CE2 3.75Å; F713-Y732 AromaticContact CE2-CE2 3.72Å; F713-Y732 HydrophobicContact CE2-CE2 3.72Å; F713-Y732 AromaticContact CE2-CZ 3.97Å; F713-A735 HydrophobicContact CB-CB 4.22Å; F713-A736 HydrophobicContact CD2-CB 4.19Å; F713-A736 HydrophobicContact CE2-CB 4Å; F713-T739 HydrophobicContact CB-CG2 4.42Å; F713-Q741 HydrophobicContact CE2-CB 4.47Å; F713-Q741 HydrophobicContact CE2-CG 4.39Å; F713-Q741 HydrophobicContact CZ-CB 4.47Å; F713-Q741 HydrophobicContact CZ-CG 4.05Å; F713-E744 HydrophobicContact CE2-CG 4.45Å |
| 714 | Y | 85 | Confident | 82.5 | Confident | 149 Ų | 149 | 60.7 Ų | 60.7 | 58% | 0.584 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -67.8 | -41 | 178.7 | -70.9 | -59.8 | 0 | 0 | 0 | 112.7 | E710 G711 S718 | E710-Y714 HydrophobicContact CB-CE2 4.45Å; E710-Y714 WeakPolarHBondContact O-CD2 3.43Å; E710-Y714 PolarHBondContact O-N 3.41Å; G711-Y714 PolarHBondContact O-N 3.48Å; Y714-S718 PolarHBondContact O-N 2.97Å |
| 715 | F | 86.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.1 | -56.1 | 175.7 | 170.6 | -119.1 | 0 | 0 | 0 | 111.1 | A687 H691 L699 F703 G711 G717 S718 I719 | A687-F715 HydrophobicContact CB-CD2 3.61Å; A687-F715 HydrophobicContact CB-CE2 3.77Å; A687-F715 HydrophobicContact CB-CG 4.29Å; H691-F715 HydrophobicContact CB-CE2 3.86Å; H691-F715 HydrophobicContact CB-CZ 3.93Å; L699-F715 HydrophobicContact CB-CE1 3.81Å; L699-F715 HydrophobicContact CB-CZ 3.96Å; L699-F715 HydrophobicContact CD1-CE1 4.23Å; L699-F715 HydrophobicContact CD1-CE2 3.91Å; L699-F715 HydrophobicContact CD1-CZ 3.5Å; L699-F715 HydrophobicContact CG-CZ 4.39Å; F703-F715 HydrophobicContact CD2-CD1 4.33Å; F703-F715 HydrophobicContact CE2-CB 4.01Å; F703-F715 HydrophobicContact CE2-CD1 4.18Å; F703-F715 HydrophobicContact CE2-CG 4.06Å; G711-F715 VanDerWaalsContact O-CB 3.24Å; G711-F715 WeakPolarHBondContact O-CB 3.48Å; G711-F715 PolarHBondContact O-N 3.46Å; F715-G717 VanDerWaalsContact C-N 3.3Å; F715-G717 PolarHBondContact O-N 3.46Å; F715-S718 PolarHBondContact O-N 3.28Å; F715-S718 VanDerWaalsContact O-N 3.09Å; F715-S718 PolarHBondContact O-OG 3.39Å; F715-I719 HydrophobicContact CE1-CD1 4.12Å; F715-I719 HydrophobicContact CZ-CD1 3.97Å |
| 716 | L | 85 | Confident | 82 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64 | -35.4 | -178.4 | -65.2 | -174.6 | 0 | 0 | 0 | 111.8 | I700 L712 S718 I719 V720 V728 K731 Y732 | I700-L716 HydrophobicContact CD1-CD2 4.17Å; I700-L716 HydrophobicContact CG1-CD2 4.02Å; L712-L716 HydrophobicContact CD1-CD1 3.93Å; L712-L716 HydrophobicContact CD1-CG 4.05Å; L712-L716 HydrophobicContact CD2-CD1 4.32Å; L712-L716 HydrophobicContact CG-CD1 3.75Å; L712-L716 HydrophobicContact CG-CG 4.12Å; L712-L716 WeakPolarHBondContact O-CB 3.35Å; L712-L716 WeakPolarHBondContact O-CG 3.32Å; L712-L716 PolarHBondContact O-N 3.31Å; L716-S718 PolarHBondContact O-N 3.19Å; L716-I719 HydrophobicContact CD2-CD1 3.8Å; L716-I719 HydrophobicContact CD2-CG1 4.32Å; L716-I719 WeakPolarHBondContact O-CG1 3.44Å; L716-I719 PolarHBondContact O-N 2.86Å; L716-V720 VanDerWaalsContact O-CB 3.26Å; L716-V720 WeakPolarHBondContact O-CB 3.49Å; L716-V720 PolarHBondContact O-N 3.14Å; L716-V728 HydrophobicContact CD2-CG1 4.25Å; L716-K731 HydrophobicContact CD1-CB 3.7Å; L716-Y732 HydrophobicContact CB-CD2 3.72Å; L716-Y732 HydrophobicContact CB-CG 4.38Å |
| 717 | G | 83.1 | Confident | 81.9 | Confident | 22 Ų | 22 | 62.3 Ų | 62.3 | 23% | 0.227 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.6 | -30.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F713 F715 Y732 | F713-G717 PolarHBondContact O-N 3.42Å; F715-G717 VanDerWaalsContact C-N 3.3Å; F715-G717 PolarHBondContact O-N 3.46Å; G717-Y732 VanDerWaalsContact CA-CE2 3.48Å |
| 718 | S | 80.7 | Confident | 82 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 32% | 0.315 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -74.5 | -23.8 | 176.2 | 70.8 | 0 | 0 | 0 | 0 | 113.8 | T688 Y714 F715 L716 | T688-S718 WeakPolarHBondContact CG2-OG 3.47Å; T688-S718 PolarHBondContact OG1-OG 2.95Å; T688-S718 VanDerWaalsContact OG1-OG 3.05Å; Y714-S718 PolarHBondContact O-N 2.97Å; F715-S718 PolarHBondContact O-N 3.28Å; F715-S718 VanDerWaalsContact O-N 3.09Å; F715-S718 PolarHBondContact O-OG 3.39Å; L716-S718 PolarHBondContact O-N 3.19Å |
| 719 | I | 80.5 | Confident | 82 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -111.5 | -23.1 | -174.7 | 62.4 | 167.1 | 0 | 0 | 0 | 114.1 | T696 F715 L716 N721 F722 S723 V728 | T696-I719 HydrophobicContact CG2-CD1 4.01Å; F715-I719 HydrophobicContact CE1-CD1 4.12Å; F715-I719 HydrophobicContact CZ-CD1 3.97Å; L716-I719 HydrophobicContact CD2-CD1 3.8Å; L716-I719 HydrophobicContact CD2-CG1 4.32Å; L716-I719 WeakPolarHBondContact O-CG1 3.44Å; L716-I719 PolarHBondContact O-N 2.86Å; I719-N721 VanDerWaalsContact C-N 3.27Å; I719-N721 PolarHBondContact O-N 3.06Å; I719-N721 VanDerWaalsContact O-N 3.15Å; I719-F722 PolarHBondContact O-N 3.46Å; I719-S723 PolarHBondContact O-N 3.26Å; I719-V728 HydrophobicContact CD1-CG1 4.03Å; I719-V728 HydrophobicContact CD1-CG2 4.38Å; I719-V728 HydrophobicContact CG1-CG1 4.19Å |
| 720 | V | 80.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -32.5 | -168.8 | 68 | 0 | 0 | 0 | 0 | 113.5 | L716 F722 H729 Y732 I748 | L716-V720 VanDerWaalsContact O-CB 3.26Å; L716-V720 WeakPolarHBondContact O-CB 3.49Å; L716-V720 PolarHBondContact O-N 3.14Å; V720-F722 PolarHBondContact O-N 2.82Å; V720-H729 PolarHBondContact O-CE1 2.87Å; V720-H729 PolarHBondContact O-NE2 3.44Å; V720-Y732 HydrophobicContact CB-CD1 4.24Å; V720-Y732 HydrophobicContact CB-CG 4.26Å; V720-Y732 HydrophobicContact CG1-CD1 4.06Å; V720-Y732 HydrophobicContact CG1-CE1 3.9Å; V720-Y732 HydrophobicContact CG1-CE2 4.45Å; V720-Y732 HydrophobicContact CG1-CG 4.38Å; V720-Y732 HydrophobicContact CG2-CD1 3.79Å; V720-Y732 HydrophobicContact CG2-CE1 4.41Å; V720-Y732 HydrophobicContact CG2-CG 4.04Å; V720-I748 HydrophobicContact CG2-CD1 3.76Å; V720-I748 HydrophobicContact CG2-CG1 4.49Å |
| 721 | N | 78.2 | Confident | 82.4 | Confident | 93 Ų | 93 | 47.1 Ų | 47.1 | 50% | 0.497 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -15.9 | 179.6 | -60.7 | -42.2 | 0 | 0 | 0 | 113 | I719 R747 | I719-N721 VanDerWaalsContact C-N 3.27Å; I719-N721 PolarHBondContact O-N 3.06Å; I719-N721 VanDerWaalsContact O-N 3.15Å; N721-R747 PolarHBondContact OD1-NH1 3.06Å; N721-R747 PolarHBondContact OD1-NH2 3.39Å; N721-R747 VanDerWaalsContact OD1-NH2 3.12Å |
| 722 | F | 79.7 | Confident | 82.6 | Confident | 177 Ų | 177 | 47.5 Ų | 47.5 | 78% | 0.776 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -22.8 | -178.6 | -53.5 | -74 | 0 | 0 | 0 | 112.7 | I719 V720 | I719-F722 PolarHBondContact O-N 3.46Å; V720-F722 PolarHBondContact O-N 2.82Å |
| 723 | S | 78 | Confident | 82.6 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 15% | 0.154 | 24% | 0.235 | C | C | . | . | trans | -73.8 | 138.4 | 178.6 | -179.7 | 0 | 0 | 0 | 0 | 111.5 | I719 E725 H729 | I719-S723 PolarHBondContact O-N 3.26Å; S723-E725 WeakPolarHBondContact OG-CB 3.44Å; S723-E725 PolarHBondContact OG-N 2.85Å; S723-E725 VanDerWaalsContact OG-N 3.08Å; S723-H729 PolarHBondContact O-NE2 3.03Å | ||
| 724 | Q | 78 | Confident | 82.6 | Confident | 166 Ų | 166 | 47.6 Ų | 47.6 | 78% | 0.776 | 24% | 0.236 | S | C | * | . | trans | -100.3 | 3.1 | 168.2 | -61.5 | -171.2 | 12.5 | 0 | 0 | 112.4 | P726 | Q724-P726 WeakPolarHBondContact O-CD 3.34Š| ||
| 725 | E | 79.2 | Confident | 82.6 | Confident | 78 Ų | 78 | 40.6 Ų | 40.6 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | trans | -76.6 | 120.5 | -174.9 | -65.3 | -173.2 | 151.9 | 0 | 0 | 111.3 | T696 S723 E727 V728 H729 | T696-E725 PolarHBondContact OG1-OE2 3.31Å; S723-E725 WeakPolarHBondContact OG-CB 3.44Å; S723-E725 PolarHBondContact OG-N 2.85Å; S723-E725 VanDerWaalsContact OG-N 3.08Å; E725-E727 PolarHBondContact O-N 2.92Å; E725-E727 VanDerWaalsContact O-N 3.14Å; E725-V728 HydrophobicContact CB-CB 4.21Å; E725-V728 HydrophobicContact CB-CG2 3.91Å; E725-V728 PolarHBondContact O-N 3.35Å; E725-V728 VanDerWaalsContact O-N 3.1Å; E725-V728 WeakPolarHBondContact OE2-CG2 3.1Å; E725-H729 PolarHBondContact O-CD2 3.5Å; E725-H729 PolarHBondContact O-N 3.47Å | ||
| 726 | P | 78.1 | Confident | 82.5 | Confident | 70 Ų | 70 | 40.6 Ų | 40.6 | 46% | 0.455 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57 | -33.9 | -178.7 | -24.2 | 31.8 | 0 | 0 | 0 | 113.9 | Q724 H729 F730 C754 | Q724-P726 WeakPolarHBondContact O-CD 3.34Å; P726-H729 PolarHBondContact O-N 3.07Å; P726-F730 WeakPolarHBondContact O-CB 3.39Å; P726-F730 PolarHBondContact O-N 3.45Å; P726-C754 WeakPolarHBondContact CA-O 3.31Å; P726-C754 WeakPolarHBondContact CB-O 3.41Å; P726-C754 VanDerWaalsContact CG-O 3.27Å; P726-C754 WeakPolarHBondContact CG-O 3.24Å |
| 727 | E | 81.8 | Confident | 82.4 | Confident | 75 Ų | 75 | 41.9 Ų | 41.9 | 35% | 0.35 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.6 | -41.8 | 179.2 | -167.3 | 114.4 | -127.3 | 0 | 0 | 111.9 | E725 H729 F730 K731 R759 | E725-E727 PolarHBondContact O-N 2.92Å; E725-E727 VanDerWaalsContact O-N 3.14Å; E727-H729 PolarHBondContact O-N 3.16Å; E727-F730 PolarHBondContact O-N 3.39Å; E727-K731 HydrophobicContact CG-CG 4.23Å; E727-K731 VanDerWaalsContact O-CB 3.28Å; E727-K731 WeakPolarHBondContact O-CB 3.44Å; E727-K731 VanDerWaalsContact O-CG 3.24Å; E727-K731 WeakPolarHBondContact O-CG 3.25Å; E727-K731 PolarHBondContact O-N 3.46Å; E727-R759 IonicContact OE1-NH1 2.66Å; E727-R759 IonicContact OE1-NH2 3.73Å |
| 728 | V | 84.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -46.4 | 177.7 | 167.7 | 0 | 0 | 0 | 0 | 110.6 | L716 I719 E725 Y732 | L716-V728 HydrophobicContact CD2-CG1 4.25Å; I719-V728 HydrophobicContact CD1-CG1 4.03Å; I719-V728 HydrophobicContact CD1-CG2 4.38Å; I719-V728 HydrophobicContact CG1-CG1 4.19Å; E725-V728 HydrophobicContact CB-CB 4.21Å; E725-V728 HydrophobicContact CB-CG2 3.91Å; E725-V728 PolarHBondContact O-N 3.35Å; E725-V728 VanDerWaalsContact O-N 3.1Å; E725-V728 WeakPolarHBondContact OE2-CG2 3.1Å; V728-Y732 WeakPolarHBondContact O-CB 3.4Å; V728-Y732 PolarHBondContact O-N 3.01Å |
| 729 | H | 84.2 | Confident | 82.4 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 3% | 0.032 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.9 | -43.2 | 178.1 | -72.9 | -97.3 | 0 | 0 | 0 | 111.7 | V720 S723 E725 P726 E727 Y732 I733 S752 | V720-H729 PolarHBondContact O-CE1 2.87Å; V720-H729 PolarHBondContact O-NE2 3.44Å; S723-H729 PolarHBondContact O-NE2 3.03Å; E725-H729 PolarHBondContact O-CD2 3.5Å; E725-H729 PolarHBondContact O-N 3.47Å; P726-H729 PolarHBondContact O-N 3.07Å; E727-H729 PolarHBondContact O-N 3.16Å; H729-Y732 PolarHBondContact O-N 2.99Å; H729-I733 WeakPolarHBondContact O-CD1 3.38Å; H729-I733 VanDerWaalsContact O-CG1 3.27Å; H729-I733 WeakPolarHBondContact O-CG1 3.34Å; H729-I733 PolarHBondContact O-N 2.87Å; H729-S752 PolarHBondContact CE1-OG 3.39Å; H729-S752 WeakPolarHBondContact ND1-CB 3.17Å; H729-S752 PolarHBondContact ND1-OG 3.25Å |
| 730 | F | 87.5 | Confident | 82.2 | Confident | 16 Ų | 16 | 48.6 Ų | 48.6 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 177 | 176.2 | -98.2 | 0 | 0 | 0 | 112.3 | P726 E727 Y732 I733 Q734 R759 V760 F763 | P726-F730 WeakPolarHBondContact O-CB 3.39Å; P726-F730 PolarHBondContact O-N 3.45Å; E727-F730 PolarHBondContact O-N 3.39Å; F730-Y732 VanDerWaalsContact C-N 3.3Å; F730-Y732 PolarHBondContact O-N 3.21Å; F730-I733 WeakPolarHBondContact O-CB 3.43Å; F730-I733 PolarHBondContact O-N 3.03Å; F730-Q734 WeakPolarHBondContact O-CB 3.44Å; F730-Q734 PolarHBondContact O-N 3.15Å; F730-R759 HydrophobicContact CD2-CG 3.98Å; F730-R759 VanDerWaalsContact CE1-NH2 3.35Å; F730-R759 HydrophobicContact CE2-CG 3.7Å; F730-R759 HydrophobicContact CZ-CG 4.15Å; F730-V760 HydrophobicContact CD2-CG2 3.97Å; F730-F763 HydrophobicContact CE2-CB 3.99Å; F730-F763 HydrophobicContact CE2-CG 4.23Å |
| 731 | K | 86 | Confident | 82.2 | Confident | 28 Ų | 28 | 53.2 Ų | 53.2 | 12% | 0.122 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.7 | -33.2 | 178.6 | -69.9 | -71.5 | -170.2 | 165.4 | 0 | 111.7 | I700 E704 L716 E727 Q734 A735 | I700-K731 HydrophobicContact CG2-CD 4.42Å; I700-K731 HydrophobicContact CG2-CG 4.38Å; E704-K731 IonicContact OE1-NZ 2.93Å; E704-K731 PolarHBondContact OE1-NZ 3.38Å; E704-K731 IonicContact OE2-NZ 2.7Å; E704-K731 PolarHBondContact OE2-NZ 3.07Å; L716-K731 HydrophobicContact CD1-CB 3.7Å; E727-K731 HydrophobicContact CG-CG 4.23Å; E727-K731 VanDerWaalsContact O-CB 3.28Å; E727-K731 WeakPolarHBondContact O-CB 3.44Å; E727-K731 VanDerWaalsContact O-CG 3.24Å; E727-K731 WeakPolarHBondContact O-CG 3.25Å; E727-K731 PolarHBondContact O-N 3.46Å; K731-Q734 PolarHBondContact O-N 3.06Å; K731-A735 VanDerWaalsContact O-CB 3.28Å; K731-A735 WeakPolarHBondContact O-CB 3.41Å; K731-A735 PolarHBondContact O-N 3.09Å |
| 732 | Y | 87.4 | Confident | 82.3 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.9 | -46 | 171.8 | -175.7 | -114.6 | 0 | 0 | 0 | 111.7 | F713 L716 G717 V720 V728 H729 F730 Q734 A735 A736 E744 I748 | F713-Y732 HydrophobicContact CD2-CD2 4.31Å; F713-Y732 AromaticContact CD2-CE2 3.75Å; F713-Y732 HydrophobicContact CD2-CE2 3.75Å; F713-Y732 AromaticContact CE2-CE2 3.72Å; F713-Y732 HydrophobicContact CE2-CE2 3.72Å; F713-Y732 AromaticContact CE2-CZ 3.97Å; L716-Y732 HydrophobicContact CB-CD2 3.72Å; L716-Y732 HydrophobicContact CB-CG 4.38Å; G717-Y732 VanDerWaalsContact CA-CE2 3.48Å; V720-Y732 HydrophobicContact CB-CD1 4.24Å; V720-Y732 HydrophobicContact CB-CG 4.26Å; V720-Y732 HydrophobicContact CG1-CD1 4.06Å; V720-Y732 HydrophobicContact CG1-CE1 3.9Å; V720-Y732 HydrophobicContact CG1-CE2 4.45Å; V720-Y732 HydrophobicContact CG1-CG 4.38Å; V720-Y732 HydrophobicContact CG2-CD1 3.79Å; V720-Y732 HydrophobicContact CG2-CE1 4.41Å; V720-Y732 HydrophobicContact CG2-CG 4.04Å; V728-Y732 WeakPolarHBondContact O-CB 3.4Å; V728-Y732 PolarHBondContact O-N 3.01Å; H729-Y732 PolarHBondContact O-N 2.99Å; F730-Y732 VanDerWaalsContact C-N 3.3Å; F730-Y732 PolarHBondContact O-N 3.21Å; Y732-Q734 VanDerWaalsContact C-N 3.3Å; Y732-Q734 PolarHBondContact O-N 3.45Å; Y732-A735 PolarHBondContact O-N 3.31Å; Y732-A736 VanDerWaalsContact O-CB 3.24Å; Y732-A736 WeakPolarHBondContact O-CB 3.28Å; Y732-A736 PolarHBondContact O-N 2.88Å; Y732-E744 HydrophobicContact CE1-CG 3.71Å; Y732-E744 WeakPolarHBondContact CE1-OE1 3.3Å; Y732-E744 VanDerWaalsContact OH-CD 3.25Å; Y732-E744 WeakPolarHBondContact OH-CG 3.47Å; Y732-E744 PolarHBondContact OH-OE1 3.11Å; Y732-I748 HydrophobicContact CD1-CG1 4.35Å |
| 733 | I | 85.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.1 | -45.3 | 172.3 | -70.5 | 162.4 | 0 | 0 | 0 | 110.4 | H729 F730 A736 C737 V745 I748 Y755 V760 F763 | H729-I733 WeakPolarHBondContact O-CD1 3.38Å; H729-I733 VanDerWaalsContact O-CG1 3.27Å; H729-I733 WeakPolarHBondContact O-CG1 3.34Å; H729-I733 PolarHBondContact O-N 2.87Å; F730-I733 WeakPolarHBondContact O-CB 3.43Å; F730-I733 PolarHBondContact O-N 3.03Å; I733-A736 PolarHBondContact O-N 3.27Å; I733-C737 WeakPolarHBondContact O-CB 3.44Å; I733-C737 PolarHBondContact O-N 2.98Å; I733-C737 PolarHBondContact O-SG 3.28Å; I733-V745 HydrophobicContact CG2-CG1 4.18Å; I733-I748 HydrophobicContact CD1-CG2 3.88Å; I733-I748 HydrophobicContact CG1-CG2 3.32Å; I733-Y755 HydrophobicContact CD1-CD1 4.26Å; I733-Y755 HydrophobicContact CD1-CG 4.34Å; I733-V760 HydrophobicContact CD1-CG1 4.19Å; I733-V760 HydrophobicContact CD1-CG2 3.88Å; I733-F763 HydrophobicContact CG2-CD1 4.11Å; I733-F763 HydrophobicContact CG2-CE1 3.91Å |
| 734 | Q | 84.7 | Confident | 82.6 | Confident | 35 Ų | 35 | 52.1 Ų | 52.1 | 16% | 0.164 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 179.7 | -170.9 | -179.6 | 32.1 | 0 | 0 | 112 | F730 K731 Y732 C737 K738 F763 | F730-Q734 WeakPolarHBondContact O-CB 3.44Å; F730-Q734 PolarHBondContact O-N 3.15Å; K731-Q734 PolarHBondContact O-N 3.06Å; Y732-Q734 VanDerWaalsContact C-N 3.3Å; Y732-Q734 PolarHBondContact O-N 3.45Å; Q734-C737 PolarHBondContact O-N 2.87Å; Q734-K738 WeakPolarHBondContact O-CG 3.27Å; Q734-K738 PolarHBondContact O-N 2.64Å; Q734-F763 HydrophobicContact CB-CZ 4.37Å; Q734-F763 HydrophobicContact CG-CE2 4.25Å; Q734-F763 HydrophobicContact CG-CZ 4.18Å |
| 735 | A | 85.3 | Confident | 82.8 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -48.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L712 F713 K731 Y732 C737 K738 T739 | L712-A735 HydrophobicContact CD2-CB 4.23Å; L712-A735 HydrophobicContact CG-CB 4.47Å; F713-A735 HydrophobicContact CB-CB 4.22Å; K731-A735 VanDerWaalsContact O-CB 3.28Å; K731-A735 WeakPolarHBondContact O-CB 3.41Å; K731-A735 PolarHBondContact O-N 3.09Å; Y732-A735 PolarHBondContact O-N 3.31Å; A735-C737 VanDerWaalsContact C-N 3.35Å; A735-C737 PolarHBondContact O-N 2.91Å; A735-K738 PolarHBondContact O-N 3.09Å; A735-K738 VanDerWaalsContact O-N 3.12Å; A735-T739 WeakPolarHBondContact O-CG2 3.16Å; A735-T739 PolarHBondContact O-N 3.35Å; A735-T739 PolarHBondContact O-OG1 2.84Å; A735-T739 VanDerWaalsContact O-OG1 3.06Å |
| 736 | A | 85.2 | Confident | 82.9 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60 | -40.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F713 Y732 I733 T739 G740 Q741 V745 | F713-A736 HydrophobicContact CD2-CB 4.19Å; F713-A736 HydrophobicContact CE2-CB 4Å; Y732-A736 VanDerWaalsContact O-CB 3.24Å; Y732-A736 WeakPolarHBondContact O-CB 3.28Å; Y732-A736 PolarHBondContact O-N 2.88Å; I733-A736 PolarHBondContact O-N 3.27Å; A736-T739 WeakPolarHBondContact CA-OG1 3.15Å; A736-T739 PolarHBondContact O-OG1 3.39Å; A736-G740 PolarHBondContact O-N 3.43Å; A736-G740 VanDerWaalsContact O-N 3.16Å; A736-Q741 HydrophobicContact CB-CB 4.35Å; A736-Q741 PolarHBondContact O-N 3.2Å; A736-V745 HydrophobicContact CB-CG2 3.88Å |
| 737 | C | 83.2 | Confident | 83.2 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 18% | 0.176 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 173 | -83.4 | 0 | 0 | 0 | 0 | 111.8 | I733 Q734 A735 T739 G740 V745 F763 | I733-C737 WeakPolarHBondContact O-CB 3.44Å; I733-C737 PolarHBondContact O-N 2.98Å; I733-C737 PolarHBondContact O-SG 3.28Å; Q734-C737 PolarHBondContact O-N 2.87Å; A735-C737 VanDerWaalsContact C-N 3.35Å; A735-C737 PolarHBondContact O-N 2.91Å; C737-T739 VanDerWaalsContact C-N 3.34Å; C737-T739 PolarHBondContact O-N 3.05Å; C737-G740 PolarHBondContact O-N 2.87Å; C737-V745 VanDerWaalsContact SG-CG2 3.59Å; C737-F763 HydrophobicContact CB-CE1 4.11Å; C737-F763 HydrophobicContact CB-CZ 3.96Å |
| 738 | K | 79.6 | Confident | 83.3 | Confident | 117 Ų | 117 | 39.4 Ų | 39.4 | 51% | 0.509 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -70.2 | -28.1 | -179.2 | -74.8 | -176.5 | 177.5 | -179.6 | 0 | 113.4 | F709 Q734 A735 G740 | F709-K738 HydrophobicContact CD1-CD 3.87Å; F709-K738 HydrophobicContact CD2-CD 4.15Å; F709-K738 HydrophobicContact CE1-CD 3.72Å; F709-K738 HydrophobicContact CE2-CD 4Å; F709-K738 HydrophobicContact CG-CD 4.1Å; F709-K738 HydrophobicContact CZ-CD 3.81Å; Q734-K738 WeakPolarHBondContact O-CG 3.27Å; Q734-K738 PolarHBondContact O-N 2.64Å; A735-K738 PolarHBondContact O-N 3.09Å; A735-K738 VanDerWaalsContact O-N 3.12Å; K738-G740 VanDerWaalsContact C-N 3.34Å |
| 739 | T | 82.3 | Confident | 83.2 | Confident | 45 Ų | 45 | 39.4 Ų | 39.4 | 28% | 0.276 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 1 | 174.5 | 60.1 | 0 | 0 | 0 | 0 | 113.2 | F709 F713 A735 A736 C737 | F709-T739 HydrophobicContact CB-CG2 4.43Å; F713-T739 HydrophobicContact CB-CG2 4.42Å; A735-T739 WeakPolarHBondContact O-CG2 3.16Å; A735-T739 PolarHBondContact O-N 3.35Å; A735-T739 PolarHBondContact O-OG1 2.84Å; A735-T739 VanDerWaalsContact O-OG1 3.06Å; A736-T739 WeakPolarHBondContact CA-OG1 3.15Å; A736-T739 PolarHBondContact O-OG1 3.39Å; C737-T739 VanDerWaalsContact C-N 3.34Å; C737-T739 PolarHBondContact O-N 3.05Å |
| 740 | G | 78.3 | Confident | 83 | Confident | 54 Ų | 54 | 45 Ų | 45 | 56% | 0.557 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 16.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | A736 C737 K738 V742 | A736-G740 PolarHBondContact O-N 3.43Å; A736-G740 VanDerWaalsContact O-N 3.16Å; C737-G740 PolarHBondContact O-N 2.87Å; K738-G740 VanDerWaalsContact C-N 3.34Å; G740-V742 PolarHBondContact O-N 2.84Å; G740-V742 VanDerWaalsContact O-N 3.17Å |
| 741 | Q | 80.5 | Confident | 82.6 | Confident | 97 Ų | 97 | 49.7 Ų | 49.7 | 45% | 0.453 | 24% | 0.243 | S | C | . | . | trans | -88.8 | 64 | -176.4 | -63.9 | -68.4 | -6.6 | 0 | 0 | 112.7 | F713 A736 K743 E744 V745 | F713-Q741 HydrophobicContact CE2-CB 4.47Å; F713-Q741 HydrophobicContact CE2-CG 4.39Å; F713-Q741 HydrophobicContact CZ-CB 4.47Å; F713-Q741 HydrophobicContact CZ-CG 4.05Å; A736-Q741 HydrophobicContact CB-CB 4.35Å; A736-Q741 PolarHBondContact O-N 3.2Å; Q741-K743 VanDerWaalsContact C-N 3.33Å; Q741-K743 PolarHBondContact O-N 3.06Å; Q741-E744 HydrophobicContact CB-CB 4.27Å; Q741-E744 WeakPolarHBondContact O-CB 3.12Å; Q741-E744 PolarHBondContact O-N 3.23Å; Q741-E744 VanDerWaalsContact O-N 3.09Å; Q741-V745 PolarHBondContact O-N 2.91Å | ||
| 742 | V | 79.3 | Confident | 82.2 | Confident | 53 Ų | 53 | 48.8 Ų | 48.8 | 32% | 0.321 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.2 | -35.3 | -172.2 | -175.1 | 0 | 0 | 0 | 0 | 114 | G740 E744 V745 E746 | G740-V742 PolarHBondContact O-N 2.84Å; G740-V742 VanDerWaalsContact O-N 3.17Å; V742-E744 PolarHBondContact O-N 3Å; V742-V745 WeakPolarHBondContact O-CB 3.15Å; V742-V745 PolarHBondContact O-N 3.17Å; V742-E746 PolarHBondContact O-N 3.16Å |
| 743 | K | 81.1 | Confident | 81.5 | Confident | 177 Ų | 177 | 53.7 Ų | 53.7 | 77% | 0.77 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.6 | -32.5 | 177.9 | -70.2 | -174.9 | 178 | -179.5 | 0 | 112.7 | Q741 E746 R747 | Q741-K743 VanDerWaalsContact C-N 3.33Å; Q741-K743 PolarHBondContact O-N 3.06Å; K743-E746 PolarHBondContact O-N 3.17Å; K743-R747 PolarHBondContact O-N 2.81Å |
| 744 | E | 82.5 | Confident | 81.1 | Confident | 40 Ų | 40 | 55.5 Ų | 55.5 | 19% | 0.187 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -76.2 | -33.6 | 179.7 | -169.8 | 60.5 | -170.6 | 0 | 0 | 111.3 | F713 Y732 Q741 V742 E746 R747 I748 | F713-E744 HydrophobicContact CE2-CG 4.45Å; Y732-E744 HydrophobicContact CE1-CG 3.71Å; Y732-E744 WeakPolarHBondContact CE1-OE1 3.3Å; Y732-E744 VanDerWaalsContact OH-CD 3.25Å; Y732-E744 WeakPolarHBondContact OH-CG 3.47Å; Y732-E744 PolarHBondContact OH-OE1 3.11Å; Q741-E744 HydrophobicContact CB-CB 4.27Å; Q741-E744 WeakPolarHBondContact O-CB 3.12Å; Q741-E744 PolarHBondContact O-N 3.23Å; Q741-E744 VanDerWaalsContact O-N 3.09Å; V742-E744 PolarHBondContact O-N 3Å; E744-E746 VanDerWaalsContact C-N 3.33Å; E744-R747 VanDerWaalsContact CD-NE 3.33Å; E744-R747 PolarHBondContact O-N 3.32Å; E744-R747 IonicContact OE1-CZ 3.47Å; E744-R747 VanDerWaalsContact OE1-CZ 3.25Å; E744-R747 IonicContact OE1-NE 3.59Å; E744-R747 PolarHBondContact OE1-NE 3.35Å; E744-R747 IonicContact OE1-NH2 2.78Å; E744-R747 PolarHBondContact OE1-NH2 3.4Å; E744-R747 IonicContact OE2-CZ 3.46Å; E744-R747 IonicContact OE2-NE 3.04Å; E744-R747 PolarHBondContact OE2-NE 3.12Å; E744-I748 WeakPolarHBondContact O-CG2 3.46Å; E744-I748 PolarHBondContact O-N 3.43Å |
| 745 | V | 83.5 | Confident | 81 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 170.1 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | I733 A736 C737 Q741 V742 I748 C749 L764 L769 P774 | I733-V745 HydrophobicContact CG2-CG1 4.18Å; A736-V745 HydrophobicContact CB-CG2 3.88Å; C737-V745 VanDerWaalsContact SG-CG2 3.59Å; Q741-V745 PolarHBondContact O-N 2.91Å; V742-V745 WeakPolarHBondContact O-CB 3.15Å; V742-V745 PolarHBondContact O-N 3.17Å; V745-I748 WeakPolarHBondContact O-CG2 3.28Å; V745-C749 WeakPolarHBondContact O-CB 3.14Å; V745-C749 PolarHBondContact O-N 3.46Å; V745-C749 VanDerWaalsContact O-N 3.11Å; V745-C749 PolarHBondContact O-SG 2.99Å; V745-L764 HydrophobicContact CG1-CD2 4.13Å; V745-L769 HydrophobicContact CG1-CD1 4.43Å; V745-P774 HydrophobicContact CG1-CB 4.47Å |
| 746 | E | 80.9 | Confident | 80.8 | Confident | 49 Ų | 49 | 58.9 Ų | 58.9 | 23% | 0.229 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 173.6 | -172 | -162.6 | 150.2 | 0 | 0 | 111.8 | V742 K743 E744 I748 C749 R750 I777 | V742-E746 PolarHBondContact O-N 3.16Å; K743-E746 PolarHBondContact O-N 3.17Å; E744-E746 VanDerWaalsContact C-N 3.33Å; E746-I748 PolarHBondContact O-N 3.49Å; E746-C749 PolarHBondContact O-N 3.34Å; E746-R750 WeakPolarHBondContact O-CB 3.39Å; E746-R750 PolarHBondContact O-N 3.22Å; E746-R750 VanDerWaalsContact O-N 3.11Å; E746-R750 IonicContact OE1-CZ 3.71Å; E746-R750 VanDerWaalsContact OE1-CZ 3.23Å; E746-R750 IonicContact OE1-NH1 2.89Å; E746-R750 PolarHBondContact OE1-NH1 3.13Å; E746-R750 IonicContact OE1-NH2 3.76Å; E746-R750 PolarHBondContact OE1-NH2 2.81Å; E746-I777 HydrophobicContact CG-CD1 4.3Å |
| 747 | R | 85.1 | Confident | 80.5 | Confident | 67 Ų | 67 | 60.2 Ų | 60.2 | 25% | 0.253 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -55.6 | -51.4 | 179.3 | -174.5 | -179.3 | 79.2 | 96.6 | -2.5 | 110.9 | N721 K743 E744 R750 E751 | N721-R747 PolarHBondContact OD1-NH1 3.06Å; N721-R747 PolarHBondContact OD1-NH2 3.39Å; N721-R747 VanDerWaalsContact OD1-NH2 3.12Å; K743-R747 PolarHBondContact O-N 2.81Å; E744-R747 VanDerWaalsContact CD-NE 3.33Å; E744-R747 PolarHBondContact O-N 3.32Å; E744-R747 IonicContact OE1-CZ 3.47Å; E744-R747 VanDerWaalsContact OE1-CZ 3.25Å; E744-R747 IonicContact OE1-NE 3.59Å; E744-R747 PolarHBondContact OE1-NE 3.35Å; E744-R747 IonicContact OE1-NH2 2.78Å; E744-R747 PolarHBondContact OE1-NH2 3.4Å; E744-R747 IonicContact OE2-CZ 3.46Å; E744-R747 IonicContact OE2-NE 3.04Å; E744-R747 PolarHBondContact OE2-NE 3.12Å; R747-R750 PolarHBondContact O-N 3.43Å; R747-E751 VanDerWaalsContact CG-CD 3.47Å; R747-E751 HydrophobicContact CG-CG 4.35Å; R747-E751 VanDerWaalsContact CG-OE2 3.32Å; R747-E751 WeakPolarHBondContact CG-OE2 3.31Å; R747-E751 IonicContact CZ-OE2 3.61Å; R747-E751 IonicContact NH1-OE2 2.53Å; R747-E751 PolarHBondContact NH1-OE2 3.03Å; R747-E751 WeakPolarHBondContact O-CB 3.45Å; R747-E751 WeakPolarHBondContact O-CG 3.49Å; R747-E751 PolarHBondContact O-N 3.23Å |
| 748 | I | 83.7 | Confident | 80.4 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.3 | -36.9 | -175.1 | -159.7 | 71.4 | 0 | 0 | 0 | 112.4 | V720 Y732 I733 E744 V745 E746 R750 E751 S752 | V720-I748 HydrophobicContact CG2-CD1 3.76Å; V720-I748 HydrophobicContact CG2-CG1 4.49Å; Y732-I748 HydrophobicContact CD1-CG1 4.35Å; I733-I748 HydrophobicContact CD1-CG2 3.88Å; I733-I748 HydrophobicContact CG1-CG2 3.32Å; E744-I748 WeakPolarHBondContact O-CG2 3.46Å; E744-I748 PolarHBondContact O-N 3.43Å; V745-I748 WeakPolarHBondContact O-CG2 3.28Å; E746-I748 PolarHBondContact O-N 3.49Å; I748-R750 PolarHBondContact O-N 2.89Å; I748-E751 PolarHBondContact O-N 3.48Å; I748-S752 WeakPolarHBondContact O-CB 3.23Å; I748-S752 PolarHBondContact O-N 2.83Å |
| 749 | C | 80.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.5 | -28.4 | 173.4 | -72.6 | 0 | 0 | 0 | 0 | 112.9 | V745 E746 Y755 V778 R781 | V745-C749 WeakPolarHBondContact O-CB 3.14Å; V745-C749 PolarHBondContact O-N 3.46Å; V745-C749 VanDerWaalsContact O-N 3.11Å; V745-C749 PolarHBondContact O-SG 2.99Å; E746-C749 PolarHBondContact O-N 3.34Å; C749-Y755 PolarHBondContact O-OH 2.92Å; C749-V778 HydrophobicContact CB-CG2 3.95Å; C749-R781 PolarHBondContact O-NH1 2.86Å; C749-R781 VanDerWaalsContact O-NH1 3.16Å |
| 750 | R | 81 | Confident | 80.6 | Confident | 124 Ų | 124 | 60.4 Ų | 60.4 | 47% | 0.468 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -85.3 | -40.1 | 177.5 | -174.6 | 179.8 | -70.6 | 136.8 | 4.2 | 113 | E746 R747 I748 I777 R781 | E746-R750 WeakPolarHBondContact O-CB 3.39Å; E746-R750 PolarHBondContact O-N 3.22Å; E746-R750 VanDerWaalsContact O-N 3.11Å; E746-R750 IonicContact OE1-CZ 3.71Å; E746-R750 VanDerWaalsContact OE1-CZ 3.23Å; E746-R750 IonicContact OE1-NH1 2.89Å; E746-R750 PolarHBondContact OE1-NH1 3.13Å; E746-R750 IonicContact OE1-NH2 3.76Å; E746-R750 PolarHBondContact OE1-NH2 2.81Å; R747-R750 PolarHBondContact O-N 3.43Å; I748-R750 PolarHBondContact O-N 2.89Å; R750-I777 HydrophobicContact CB-CG2 4.4Å; R750-R781 VanDerWaalsContact C-NH1 3.33Å; R750-R781 PolarHBondContact O-NH1 2.81Å |
| 751 | E | 79.9 | Confident | 80.8 | Confident | 114 Ų | 114 | 58.3 Ų | 58.3 | 53% | 0.533 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -91.2 | -42.6 | -171.2 | -69 | 175.9 | -178 | 0 | 0 | 111.8 | R747 I748 R781 | R747-E751 VanDerWaalsContact CG-CD 3.47Å; R747-E751 HydrophobicContact CG-CG 4.35Å; R747-E751 VanDerWaalsContact CG-OE2 3.32Å; R747-E751 WeakPolarHBondContact CG-OE2 3.31Å; R747-E751 IonicContact CZ-OE2 3.61Å; R747-E751 IonicContact NH1-OE2 2.53Å; R747-E751 PolarHBondContact NH1-OE2 3.03Å; R747-E751 WeakPolarHBondContact O-CB 3.45Å; R747-E751 WeakPolarHBondContact O-CG 3.49Å; R747-E751 PolarHBondContact O-N 3.23Å; I748-E751 PolarHBondContact O-N 3.48Å; E751-R781 PolarHBondContact O-NH2 3.43Å |
| 752 | S | 76.8 | Confident | 81 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | trans | -78.1 | 133 | -172.7 | -178.3 | 0 | 0 | 0 | 0 | 112.5 | H729 I748 C754 Y755 R781 | H729-S752 PolarHBondContact CE1-OG 3.39Å; H729-S752 WeakPolarHBondContact ND1-CB 3.17Å; H729-S752 PolarHBondContact ND1-OG 3.25Å; I748-S752 WeakPolarHBondContact O-CB 3.23Å; I748-S752 PolarHBondContact O-N 2.83Å; S752-C754 PolarHBondContact OG-N 3Å; S752-C754 VanDerWaalsContact OG-N 3.13Å; S752-Y755 VanDerWaalsContact O-CE1 3.28Å; S752-Y755 WeakPolarHBondContact O-CE1 3.43Å; S752-R781 PolarHBondContact O-NH1 2.96Å | ||
| 753 | N | 73.7 | Confident | 81.3 | Confident | 112 Ų | 112 | 56.5 Ų | 56.5 | 60% | 0.599 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -98.7 | -0.7 | 168.5 | -75.2 | -48.7 | 0 | 0 | 0 | 112.4 | R781 | N753-R781 PolarHBondContact OD1-NE 3.48Å; N753-R781 PolarHBondContact OD1-NH2 3.41Å |
| 754 | C | 76.9 | Confident | 81.4 | Confident | 38 Ų | 38 | 48.3 Ų | 48.3 | 26% | 0.257 | 23% | 0.226 | S | C | . | . | trans | -95.4 | -21.3 | -162.3 | -60.5 | 0 | 0 | 0 | 0 | 113.4 | P726 S752 | P726-C754 WeakPolarHBondContact CA-O 3.31Å; P726-C754 WeakPolarHBondContact CB-O 3.41Å; P726-C754 VanDerWaalsContact CG-O 3.27Å; P726-C754 WeakPolarHBondContact CG-O 3.24Å; S752-C754 PolarHBondContact OG-N 3Å; S752-C754 VanDerWaalsContact OG-N 3.13Å | ||
| 755 | Y | 80.8 | Confident | 81.3 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -74.3 | 150.2 | 178.3 | 61.7 | -98.6 | 0 | 0 | 0 | 111.8 | I733 C749 S752 P757 V760 V778 F782 | I733-Y755 HydrophobicContact CD1-CD1 4.26Å; I733-Y755 HydrophobicContact CD1-CG 4.34Å; C749-Y755 PolarHBondContact O-OH 2.92Å; S752-Y755 VanDerWaalsContact O-CE1 3.28Å; S752-Y755 WeakPolarHBondContact O-CE1 3.43Å; Y755-P757 WeakPolarHBondContact O-CD 3.38Å; Y755-V760 HydrophobicContact CD2-CB 3.7Å; Y755-V760 HydrophobicContact CD2-CG1 4.16Å; Y755-V760 HydrophobicContact CD2-CG2 3.35Å; Y755-V760 HydrophobicContact CE2-CB 3.96Å; Y755-V760 HydrophobicContact CE2-CG1 4.05Å; Y755-V760 HydrophobicContact CE2-CG2 4.08Å; Y755-V760 HydrophobicContact CG-CG2 3.77Å; Y755-V778 HydrophobicContact CE2-CG1 4.12Å; Y755-V778 HydrophobicContact CE2-CG2 4.15Å; Y755-V778 VanDerWaalsContact OH-CG2 3.3Å; Y755-V778 WeakPolarHBondContact OH-CG2 3.27Å; Y755-F782 AromaticContact CE2-CE2 3.93Å; Y755-F782 HydrophobicContact CE2-CE2 3.93Å; Y755-F782 AromaticContact CZ-CE2 3.98Å |
| 756 | E | 82.3 | Confident | 81.2 | Confident | 104 Ų | 104 | 55.8 Ų | 55.8 | 49% | 0.486 | 26% | 0.261 | S | S | . | . | trans | -69.2 | 112.7 | 173.8 | -171.6 | 179 | -166.4 | 0 | 0 | 110.2 | E758 R759 V760 | E756-E758 VanDerWaalsContact C-N 3.33Å; E756-E758 PolarHBondContact O-N 3.34Å; E756-R759 HydrophobicContact CB-CB 4.07Å; E756-R759 HydrophobicContact CG-CB 4.2Å; E756-R759 PolarHBondContact O-N 3.02Å; E756-V760 PolarHBondContact O-N 2.82Å; E756-V760 VanDerWaalsContact O-N 3.08Å | ||
| 757 | P | 79.4 | Confident | 81 | Confident | 30 Ų | 30 | 55.5 Ų | 55.5 | 20% | 0.195 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -36.5 | -169.4 | -28.9 | 39.4 | 0 | 0 | 0 | 113.9 | Y755 K761 V778 F782 F784 | Y755-P757 WeakPolarHBondContact O-CD 3.38Å; P757-K761 WeakPolarHBondContact O-CB 3.46Å; P757-K761 PolarHBondContact O-N 3.34Å; P757-V778 HydrophobicContact CB-CG1 4.47Å; P757-F782 HydrophobicContact CB-CB 3.95Å; P757-F782 HydrophobicContact CB-CD1 4.02Å; P757-F782 HydrophobicContact CB-CD2 3.53Å; P757-F782 HydrophobicContact CB-CE1 4.4Å; P757-F782 HydrophobicContact CB-CE2 3.97Å; P757-F782 HydrophobicContact CB-CG 3.56Å; P757-F782 HydrophobicContact CB-CZ 4.38Å; P757-F782 HydrophobicContact CG-CB 4.32Å; P757-F782 HydrophobicContact CG-CD1 3.45Å; P757-F782 VanDerWaalsContact CG-CD1 3.45Å; P757-F782 HydrophobicContact CG-CD2 3.66Å; P757-F782 HydrophobicContact CG-CE1 3.49Å; P757-F782 VanDerWaalsContact CG-CE1 3.49Å; P757-F782 HydrophobicContact CG-CE2 3.71Å; P757-F782 HydrophobicContact CG-CG 3.54Å; P757-F782 HydrophobicContact CG-CZ 3.62Å; P757-F784 HydrophobicContact CB-CE2 3.79Å; P757-F784 HydrophobicContact CB-CZ 4.47Å |
| 758 | E | 79.9 | Confident | 80.4 | Confident | 99 Ų | 99 | 60.1 Ų | 60.1 | 46% | 0.463 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.7 | -42 | 179.3 | -67.7 | -161.4 | 151.1 | 0 | 0 | 112.5 | E756 K761 N762 F784 | E756-E758 VanDerWaalsContact C-N 3.33Å; E756-E758 PolarHBondContact O-N 3.34Å; E758-K761 WeakPolarHBondContact O-CB 3.43Å; E758-K761 PolarHBondContact O-N 3.26Å; E758-N762 WeakPolarHBondContact O-CB 3.22Å; E758-N762 PolarHBondContact O-N 3.16Å; E758-N762 PolarHBondContact O-ND2 3.26Å; E758-F784 HydrophobicContact CG-CE1 4.16Å; E758-F784 HydrophobicContact CG-CE2 4.3Å; E758-F784 HydrophobicContact CG-CZ 3.58Å |
| 759 | R | 82.5 | Confident | 80 | Confident | 92 Ų | 92 | 61.3 Ų | 61.3 | 35% | 0.347 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 178.1 | -167.2 | 179.6 | 175.1 | -174.9 | -1.1 | 110.9 | E727 F730 E756 N762 F763 | E727-R759 IonicContact OE1-NH1 2.66Å; E727-R759 IonicContact OE1-NH2 3.73Å; F730-R759 HydrophobicContact CD2-CG 3.98Å; F730-R759 VanDerWaalsContact CE1-NH2 3.35Å; F730-R759 HydrophobicContact CE2-CG 3.7Å; F730-R759 HydrophobicContact CZ-CG 4.15Å; E756-R759 HydrophobicContact CB-CB 4.07Å; E756-R759 HydrophobicContact CG-CB 4.2Å; E756-R759 PolarHBondContact O-N 3.02Å; R759-N762 PolarHBondContact O-N 2.93Å; R759-F763 WeakPolarHBondContact O-CB 3.49Å; R759-F763 PolarHBondContact O-N 2.91Å |
| 760 | V | 84.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 174.5 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | F730 I733 Y755 E756 N762 F763 L764 V778 | F730-V760 HydrophobicContact CD2-CG2 3.97Å; I733-V760 HydrophobicContact CD1-CG1 4.19Å; I733-V760 HydrophobicContact CD1-CG2 3.88Å; Y755-V760 HydrophobicContact CD2-CB 3.7Å; Y755-V760 HydrophobicContact CD2-CG1 4.16Å; Y755-V760 HydrophobicContact CD2-CG2 3.35Å; Y755-V760 HydrophobicContact CE2-CB 3.96Å; Y755-V760 HydrophobicContact CE2-CG1 4.05Å; Y755-V760 HydrophobicContact CE2-CG2 4.08Å; Y755-V760 HydrophobicContact CG-CG2 3.77Å; E756-V760 PolarHBondContact O-N 2.82Å; E756-V760 VanDerWaalsContact O-N 3.08Å; V760-N762 VanDerWaalsContact C-N 3.32Å; V760-N762 PolarHBondContact O-N 2.83Å; V760-F763 PolarHBondContact O-N 2.96Å; V760-L764 HydrophobicContact CG1-CD1 3.74Å; V760-L764 HydrophobicContact CG1-CG 4.07Å; V760-L764 WeakPolarHBondContact O-CB 3.25Å; V760-L764 VanDerWaalsContact O-CG 3.28Å; V760-L764 WeakPolarHBondContact O-CG 3.44Å; V760-L764 PolarHBondContact O-N 3.41Å; V760-V778 HydrophobicContact CG1-CG2 4.13Å |
| 761 | K | 82.4 | Confident | 79.5 | Confident | 10 Ų | 10 | 64.9 Ų | 64.9 | 4% | 0.043 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -53.4 | -48.5 | 173.8 | 174.9 | -178.2 | 73 | 178.1 | 0 | 111.1 | P757 E758 K765 L775 F784 D787 | P757-K761 WeakPolarHBondContact O-CB 3.46Å; P757-K761 PolarHBondContact O-N 3.34Å; E758-K761 WeakPolarHBondContact O-CB 3.43Å; E758-K761 PolarHBondContact O-N 3.26Å; K761-K765 HydrophobicContact CG-CD 4.42Å; K761-K765 VanDerWaalsContact O-CG 3.28Å; K761-K765 WeakPolarHBondContact O-CG 3.39Å; K761-K765 PolarHBondContact O-N 3.26Å; K761-K765 VanDerWaalsContact O-N 3.07Å; K761-L775 HydrophobicContact CG-CD1 4.26Å; K761-F784 HydrophobicContact CD-CB 4.24Å; K761-F784 HydrophobicContact CD-CD2 4.04Å; K761-F784 HydrophobicContact CD-CG 4.06Å; K761-D787 IonicContact NZ-OD2 2.75Å; K761-D787 PolarHBondContact NZ-OD2 2.94Å |
| 762 | N | 84.8 | Confident | 79.6 | Confident | 77 Ų | 77 | 60.4 Ų | 60.4 | 41% | 0.412 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70 | -43 | -178.4 | -66.4 | -21.6 | 0 | 0 | 0 | 111.6 | E758 R759 V760 L764 K765 E766 | E758-N762 WeakPolarHBondContact O-CB 3.22Å; E758-N762 PolarHBondContact O-N 3.16Å; E758-N762 PolarHBondContact O-ND2 3.26Å; R759-N762 PolarHBondContact O-N 2.93Å; V760-N762 VanDerWaalsContact C-N 3.32Å; V760-N762 PolarHBondContact O-N 2.83Å; N762-L764 PolarHBondContact O-N 2.92Å; N762-K765 WeakPolarHBondContact O-CB 3.47Å; N762-K765 PolarHBondContact O-N 3.43Å; N762-E766 WeakPolarHBondContact O-CG 3.2Å; N762-E766 PolarHBondContact O-N 2.84Å |
| 763 | F | 85.5 | Confident | 79.8 | Confident | 36 Ų | 36 | 62.2 Ų | 62.2 | 16% | 0.158 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 174.8 | 174.6 | -106.5 | 0 | 0 | 0 | 112.6 | F730 I733 Q734 C737 R759 V760 K765 E766 A767 | F730-F763 HydrophobicContact CE2-CB 3.99Å; F730-F763 HydrophobicContact CE2-CG 4.23Å; I733-F763 HydrophobicContact CG2-CD1 4.11Å; I733-F763 HydrophobicContact CG2-CE1 3.91Å; Q734-F763 HydrophobicContact CB-CZ 4.37Å; Q734-F763 HydrophobicContact CG-CE2 4.25Å; Q734-F763 HydrophobicContact CG-CZ 4.18Å; C737-F763 HydrophobicContact CB-CE1 4.11Å; C737-F763 HydrophobicContact CB-CZ 3.96Å; R759-F763 WeakPolarHBondContact O-CB 3.49Å; R759-F763 PolarHBondContact O-N 2.91Å; V760-F763 PolarHBondContact O-N 2.96Å; F763-K765 PolarHBondContact O-N 3.34Å; F763-E766 PolarHBondContact O-N 3.33Å; F763-A767 HydrophobicContact CZ-CB 4.5Å; F763-A767 VanDerWaalsContact O-CB 3.28Å; F763-A767 WeakPolarHBondContact O-CB 3.44Å; F763-A767 PolarHBondContact O-N 2.82Å |
| 764 | L | 82.9 | Confident | 80.2 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67 | -35.9 | 178.3 | -69.6 | 176.3 | 0 | 0 | 0 | 112.2 | V745 V760 N762 E766 K768 L769 P774 L775 V778 | V745-L764 HydrophobicContact CG1-CD2 4.13Å; V760-L764 HydrophobicContact CG1-CD1 3.74Å; V760-L764 HydrophobicContact CG1-CG 4.07Å; V760-L764 WeakPolarHBondContact O-CB 3.25Å; V760-L764 VanDerWaalsContact O-CG 3.28Å; V760-L764 WeakPolarHBondContact O-CG 3.44Å; V760-L764 PolarHBondContact O-N 3.41Å; N762-L764 PolarHBondContact O-N 2.92Å; L764-E766 VanDerWaalsContact C-N 3.32Å; L764-K768 PolarHBondContact O-N 3.35Å; L764-L769 HydrophobicContact CD2-CD1 3.78Å; L764-P774 HydrophobicContact CD1-CB 4.15Å; L764-P774 HydrophobicContact CD2-CB 4.5Å; L764-L775 HydrophobicContact CB-CD1 4.31Å; L764-V778 HydrophobicContact CD1-CG2 4.1Å |
| 765 | K | 79.9 | Confident | 80.6 | Confident | 46 Ų | 46 | 55.4 Ų | 55.4 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 171.9 | -75.9 | 175.5 | 178.8 | 180 | 0 | 111.9 | K761 N762 F763 L775 Y791 | K761-K765 HydrophobicContact CG-CD 4.42Å; K761-K765 VanDerWaalsContact O-CG 3.28Å; K761-K765 WeakPolarHBondContact O-CG 3.39Å; K761-K765 PolarHBondContact O-N 3.26Å; K761-K765 VanDerWaalsContact O-N 3.07Å; N762-K765 WeakPolarHBondContact O-CB 3.47Å; N762-K765 PolarHBondContact O-N 3.43Å; F763-K765 PolarHBondContact O-N 3.34Å; K765-L775 HydrophobicContact CG-CD1 4.12Å; K765-L775 HydrophobicContact CG-CD2 4.14Å; K765-Y791 HydrophobicContact CB-CE2 4.22Å; K765-Y791 HydrophobicContact CD-CD2 4.09Å; K765-Y791 HydrophobicContact CD-CE2 4.15Å; K765-Y791 HydrophobicContact CG-CD2 4.18Å; K765-Y791 HydrophobicContact CG-CE1 4.46Å; K765-Y791 HydrophobicContact CG-CE2 3.81Å |
| 766 | E | 80.5 | Confident | 80.7 | Confident | 153 Ų | 153 | 55.3 Ų | 55.3 | 72% | 0.715 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -75.6 | -39.5 | 178.6 | -73.2 | 178.6 | -176.9 | 0 | 0 | 113 | N762 F763 L764 K768 | N762-E766 WeakPolarHBondContact O-CG 3.2Å; N762-E766 PolarHBondContact O-N 2.84Å; F763-E766 PolarHBondContact O-N 3.33Å; L764-E766 VanDerWaalsContact C-N 3.32Å; E766-K768 PolarHBondContact O-N 2.72Å |
| 767 | A | 77.1 | Confident | 80.7 | Confident | 42 Ų | 42 | 51.3 Ų | 51.3 | 35% | 0.347 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.7 | -20.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F763 L769 | F763-A767 HydrophobicContact CZ-CB 4.5Å; F763-A767 VanDerWaalsContact O-CB 3.28Å; F763-A767 WeakPolarHBondContact O-CB 3.44Å; F763-A767 PolarHBondContact O-N 2.82Å; A767-L769 VanDerWaalsContact C-N 3.28Å; A767-L769 HydrophobicContact CB-CD2 4.43Å; A767-L769 HydrophobicContact CB-CG 4.38Å; A767-L769 PolarHBondContact O-N 3.47Å |
| 768 | K | 73 | Confident | 80.9 | Confident | 164 Ų | 164 | 49.9 Ų | 49.9 | 71% | 0.713 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.9 | 51.1 | 177.7 | -66.6 | -178.6 | -178.6 | 177.9 | 0 | 112.6 | L764 E766 | L764-K768 PolarHBondContact O-N 3.35Å; E766-K768 PolarHBondContact O-N 2.72Å |
| 769 | L | 74.7 | Confident | 81.1 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 16% | 0.157 | 23% | 0.228 | C | C | . | . | trans | -55 | 145.8 | 177.2 | -61.8 | 177.2 | 0 | 0 | 0 | 110.4 | V745 L764 A767 D771 Q772 P774 | V745-L769 HydrophobicContact CG1-CD1 4.43Å; L764-L769 HydrophobicContact CD2-CD1 3.78Å; A767-L769 VanDerWaalsContact C-N 3.28Å; A767-L769 HydrophobicContact CB-CD2 4.43Å; A767-L769 HydrophobicContact CB-CG 4.38Å; A767-L769 PolarHBondContact O-N 3.47Å; L769-D771 WeakPolarHBondContact CB-O 3.42Å; L769-D771 PolarHBondContact O-N 2.9Å; L769-Q772 PolarHBondContact O-NE2 2.78Å; L769-P774 HydrophobicContact CD1-CG 4.35Å | ||
| 770 | T | 74.1 | Confident | 81.1 | Confident | 138 Ų | 138 | 42.3 Ų | 42.3 | 85% | 0.847 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -61.6 | -28 | 177.4 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 771 | D | 78.2 | Confident | 80.8 | Confident | 61 Ų | 61 | 46.1 Ų | 46.1 | 33% | 0.326 | 23% | 0.234 | S | C | . | . | trans | -110.5 | 123.6 | 172.7 | -169.6 | -9.3 | 0 | 0 | 0 | 109.6 | L769 L773 P774 | L769-D771 WeakPolarHBondContact CB-O 3.42Å; L769-D771 PolarHBondContact O-N 2.9Å; D771-L773 VanDerWaalsContact OD1-CB 3.25Å; D771-L773 WeakPolarHBondContact OD1-CB 3.23Å; D771-L773 PolarHBondContact OD1-N 2.95Å; D771-P774 WeakPolarHBondContact O-CD 3.34Å | ||
| 772 | Q | 80.6 | Confident | 80.8 | Confident | 21 Ų | 21 | 48.3 Ų | 48.3 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | trans | -91.1 | 0.4 | -178.2 | -65.3 | -66.9 | -43 | 0 | 0 | 112.7 | L769 P774 L775 I776 L797 Y800 | L769-Q772 PolarHBondContact O-NE2 2.78Å; Q772-P774 VanDerWaalsContact C-CD 3.46Å; Q772-L775 WeakPolarHBondContact O-CB 3.25Å; Q772-L775 PolarHBondContact O-N 3.2Å; Q772-L775 VanDerWaalsContact O-N 3.08Å; Q772-I776 PolarHBondContact O-N 3.14Å; Q772-I776 VanDerWaalsContact O-N 3.16Å; Q772-L797 HydrophobicContact CG-CD1 4.31Å; Q772-Y800 HydrophobicContact CB-CE1 4.3Å | ||
| 773 | L | 81.8 | Confident | 80.5 | Confident | 47 Ų | 47 | 49.4 Ų | 49.4 | 25% | 0.246 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.4 | -40.5 | 178.5 | -170.5 | 64.5 | 0 | 0 | 0 | 113.9 | D771 L775 I776 I777 | D771-L773 VanDerWaalsContact OD1-CB 3.25Å; D771-L773 WeakPolarHBondContact OD1-CB 3.23Å; D771-L773 PolarHBondContact OD1-N 2.95Å; L773-L775 VanDerWaalsContact C-N 3.28Å; L773-L775 PolarHBondContact O-N 2.93Å; L773-I776 PolarHBondContact O-N 3.01Å; L773-I777 HydrophobicContact CG-CD1 4.07Å; L773-I777 WeakPolarHBondContact O-CG1 3.46Å; L773-I777 PolarHBondContact O-N 3.35Å |
| 774 | P | 83.1 | Confident | 80.4 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.1 | -39.6 | 175 | -25.3 | 35.7 | 0 | 0 | 0 | 112.8 | V745 L764 L769 D771 Q772 I777 V778 | V745-P774 HydrophobicContact CG1-CB 4.47Å; L764-P774 HydrophobicContact CD1-CB 4.15Å; L764-P774 HydrophobicContact CD2-CB 4.5Å; L769-P774 HydrophobicContact CD1-CG 4.35Å; D771-P774 WeakPolarHBondContact O-CD 3.34Å; Q772-P774 VanDerWaalsContact C-CD 3.46Å; P774-I777 PolarHBondContact O-N 3.02Å; P774-V778 WeakPolarHBondContact O-CG2 3.28Å; P774-V778 PolarHBondContact O-N 3.42Å; P774-V778 VanDerWaalsContact O-N 3.16Å |
| 775 | L | 83.8 | Confident | 80.2 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 178 | 178.2 | 64.1 | 0 | 0 | 0 | 111.6 | K761 L764 K765 Q772 L773 I777 V778 C779 L788 Y791 | K761-L775 HydrophobicContact CG-CD1 4.26Å; L764-L775 HydrophobicContact CB-CD1 4.31Å; K765-L775 HydrophobicContact CG-CD1 4.12Å; K765-L775 HydrophobicContact CG-CD2 4.14Å; Q772-L775 WeakPolarHBondContact O-CB 3.25Å; Q772-L775 PolarHBondContact O-N 3.2Å; Q772-L775 VanDerWaalsContact O-N 3.08Å; L773-L775 VanDerWaalsContact C-N 3.28Å; L773-L775 PolarHBondContact O-N 2.93Å; L775-I777 VanDerWaalsContact C-N 3.34Å; L775-I777 PolarHBondContact O-N 3.22Å; L775-V778 PolarHBondContact O-N 3.31Å; L775-C779 WeakPolarHBondContact O-CB 3.28Å; L775-C779 PolarHBondContact O-N 3.06Å; L775-C779 PolarHBondContact O-SG 3.23Å; L775-C779 VanDerWaalsContact O-SG 3.4Å; L775-L788 HydrophobicContact CG-CD1 4.37Å; L775-Y791 HydrophobicContact CD2-CD1 3.75Å; L775-Y791 HydrophobicContact CD2-CE1 3.48Å; L775-Y791 VanDerWaalsContact CD2-CE1 3.48Å |
| 776 | I | 84.3 | Confident | 80 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 177.7 | -64.2 | 169.7 | 0 | 0 | 0 | 110.4 | Q772 L773 C779 D780 L788 Y800 Y804 V808 | Q772-I776 PolarHBondContact O-N 3.14Å; Q772-I776 VanDerWaalsContact O-N 3.16Å; L773-I776 PolarHBondContact O-N 3.01Å; I776-C779 PolarHBondContact O-N 2.65Å; I776-D780 WeakPolarHBondContact O-CB 3.45Å; I776-D780 PolarHBondContact O-N 3.39Å; I776-L788 HydrophobicContact CG1-CD1 4.25Å; I776-L788 HydrophobicContact CG1-CD2 4.5Å; I776-L788 HydrophobicContact CG2-CD2 4.32Å; I776-Y800 HydrophobicContact CD1-CD1 3.68Å; I776-Y800 HydrophobicContact CD1-CG 4.3Å; I776-Y804 HydrophobicContact CG2-CD2 3.88Å; I776-V808 HydrophobicContact CG2-CG1 4.42Å; I776-V808 HydrophobicContact CG2-CG2 4.15Å |
| 777 | I | 81.7 | Confident | 80 | Confident | 21 Ų | 21 | 46.9 Ų | 46.9 | 11% | 0.108 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61 | -47 | 179.3 | -67.8 | 166.9 | 0 | 0 | 0 | 110.8 | E746 R750 L773 P774 L775 R781 | E746-I777 HydrophobicContact CG-CD1 4.3Å; R750-I777 HydrophobicContact CB-CG2 4.4Å; L773-I777 HydrophobicContact CG-CD1 4.07Å; L773-I777 WeakPolarHBondContact O-CG1 3.46Å; L773-I777 PolarHBondContact O-N 3.35Å; P774-I777 PolarHBondContact O-N 3.02Å; L775-I777 VanDerWaalsContact C-N 3.34Å; L775-I777 PolarHBondContact O-N 3.22Å; I777-R781 VanDerWaalsContact O-CB 3.22Å; I777-R781 WeakPolarHBondContact O-CB 3.24Å; I777-R781 PolarHBondContact O-N 3.09Å |
| 778 | V | 83.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 178.3 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | C749 Y755 P757 V760 L764 P774 L775 F782 | C749-V778 HydrophobicContact CB-CG2 3.95Å; Y755-V778 HydrophobicContact CE2-CG1 4.12Å; Y755-V778 HydrophobicContact CE2-CG2 4.15Å; Y755-V778 VanDerWaalsContact OH-CG2 3.3Å; Y755-V778 WeakPolarHBondContact OH-CG2 3.27Å; P757-V778 HydrophobicContact CB-CG1 4.47Å; V760-V778 HydrophobicContact CG1-CG2 4.13Å; L764-V778 HydrophobicContact CD1-CG2 4.1Å; P774-V778 WeakPolarHBondContact O-CG2 3.28Å; P774-V778 PolarHBondContact O-N 3.42Å; P774-V778 VanDerWaalsContact O-N 3.16Å; L775-V778 PolarHBondContact O-N 3.31Å; V778-F782 HydrophobicContact CG1-CD2 4.07Å; V778-F782 VanDerWaalsContact O-CD2 3.29Å; V778-F782 WeakPolarHBondContact O-CD2 2.95Å; V778-F782 PolarHBondContact O-N 3.26Å |
| 779 | C | 83.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.2 | -37 | -177.6 | -71.9 | 0 | 0 | 0 | 0 | 113.9 | L775 I776 D783 F784 L788 | L775-C779 WeakPolarHBondContact O-CB 3.28Å; L775-C779 PolarHBondContact O-N 3.06Å; L775-C779 PolarHBondContact O-SG 3.23Å; L775-C779 VanDerWaalsContact O-SG 3.4Å; I776-C779 PolarHBondContact O-N 2.65Å; C779-D783 PolarHBondContact O-N 2.89Å; C779-F784 HydrophobicContact CB-CB 4.11Å; C779-F784 PolarHBondContact O-N 3.06Å; C779-L788 HydrophobicContact CB-CB 3.74Å; C779-L788 HydrophobicContact CB-CD1 3.99Å; C779-L788 HydrophobicContact CB-CD2 3.9Å; C779-L788 HydrophobicContact CB-CG 4.08Å |
| 780 | D | 82.5 | Confident | 81 | Confident | 31 Ų | 31 | 37.5 Ų | 37.5 | 17% | 0.166 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.9 | -47.4 | 175.4 | 178 | 59.8 | 0 | 0 | 0 | 111.5 | I776 F782 D783 Y804 V808 N809 | I776-D780 WeakPolarHBondContact O-CB 3.45Å; I776-D780 PolarHBondContact O-N 3.39Å; D780-F782 PolarHBondContact O-N 3.46Å; D780-D783 PolarHBondContact O-N 3.25Å; D780-Y804 HydrophobicContact CB-CE2 3.76Å; D780-Y804 WeakPolarHBondContact OD1-CE2 3.43Å; D780-Y804 PolarHBondContact OD1-OH 2.79Å; D780-Y804 VanDerWaalsContact OD1-OH 3.14Å; D780-V808 HydrophobicContact CB-CG1 4.42Å; D780-N809 WeakPolarHBondContact OD1-CB 3.28Å; D780-N809 PolarHBondContact OD1-ND2 3.26Å |
| 781 | R | 79.6 | Confident | 81.4 | Confident | 81 Ų | 81 | 33 Ų | 33 | 31% | 0.306 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.4 | -30.5 | -176.5 | -170.1 | 178.6 | -170.1 | 175.2 | 7.1 | 113.2 | C749 R750 E751 S752 N753 I777 | C749-R781 PolarHBondContact O-NH1 2.86Å; C749-R781 VanDerWaalsContact O-NH1 3.16Å; R750-R781 VanDerWaalsContact C-NH1 3.33Å; R750-R781 PolarHBondContact O-NH1 2.81Å; E751-R781 PolarHBondContact O-NH2 3.43Å; S752-R781 PolarHBondContact O-NH1 2.96Å; N753-R781 PolarHBondContact OD1-NE 3.48Å; N753-R781 PolarHBondContact OD1-NH2 3.41Å; I777-R781 VanDerWaalsContact O-CB 3.22Å; I777-R781 WeakPolarHBondContact O-CB 3.24Å; I777-R781 PolarHBondContact O-N 3.09Å |
| 782 | F | 82 | Confident | 81.6 | Confident | 56 Ų | 56 | 30.1 Ų | 30.1 | 25% | 0.246 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116 | 26.2 | -175.1 | -61.4 | -74.4 | 0 | 0 | 0 | 113.3 | Y755 P757 V778 D780 F784 | Y755-F782 AromaticContact CE2-CE2 3.93Å; Y755-F782 HydrophobicContact CE2-CE2 3.93Å; Y755-F782 AromaticContact CZ-CE2 3.98Å; P757-F782 HydrophobicContact CB-CB 3.95Å; P757-F782 HydrophobicContact CB-CD1 4.02Å; P757-F782 HydrophobicContact CB-CD2 3.53Å; P757-F782 HydrophobicContact CB-CE1 4.4Å; P757-F782 HydrophobicContact CB-CE2 3.97Å; P757-F782 HydrophobicContact CB-CG 3.56Å; P757-F782 HydrophobicContact CB-CZ 4.38Å; P757-F782 HydrophobicContact CG-CB 4.32Å; P757-F782 HydrophobicContact CG-CD1 3.45Å; P757-F782 VanDerWaalsContact CG-CD1 3.45Å; P757-F782 HydrophobicContact CG-CD2 3.66Å; P757-F782 HydrophobicContact CG-CE1 3.49Å; P757-F782 VanDerWaalsContact CG-CE1 3.49Å; P757-F782 HydrophobicContact CG-CE2 3.71Å; P757-F782 HydrophobicContact CG-CG 3.54Å; P757-F782 HydrophobicContact CG-CZ 3.62Å; V778-F782 HydrophobicContact CG1-CD2 4.07Å; V778-F782 VanDerWaalsContact O-CD2 3.29Å; V778-F782 WeakPolarHBondContact O-CD2 2.95Å; V778-F782 PolarHBondContact O-N 3.26Å; D780-F782 PolarHBondContact O-N 3.46Å; F782-F784 HydrophobicContact CB-CD2 3.84Å; F782-F784 HydrophobicContact CB-CE2 3.6Å; F782-F784 HydrophobicContact CB-CZ 4.47Å; F782-F784 PolarHBondContact O-N 3.43Å |
| 783 | D | 79 | Confident | 81.5 | Confident | 100 Ų | 100 | 32 Ų | 32 | 54% | 0.535 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 18.6 | 172.4 | -74.4 | -43.5 | 0 | 0 | 0 | 116.2 | C779 D780 V785 R812 | C779-D783 PolarHBondContact O-N 2.89Å; D780-D783 PolarHBondContact O-N 3.25Å; D783-V785 PolarHBondContact O-N 2.86Å; D783-R812 IonicContact OD1-CZ 2.72Å; D783-R812 IonicContact OD1-NH1 2.86Å; D783-R812 PolarHBondContact OD1-NH1 3.38Å; D783-R812 IonicContact OD1-NH2 3.66Å; D783-R812 PolarHBondContact OD1-NH2 3.31Å; D783-R812 IonicContact OD2-NH2 3.85Å |
| 784 | F | 82.6 | Confident | 81.4 | Confident | 42 Ų | 42 | 39 Ų | 39 | 18% | 0.184 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 33.6 | 172.4 | -56.4 | -60.6 | 0 | 0 | 0 | 112.6 | P757 E758 K761 C779 F782 H786 D787 L788 | P757-F784 HydrophobicContact CB-CE2 3.79Å; P757-F784 HydrophobicContact CB-CZ 4.47Å; E758-F784 HydrophobicContact CG-CE1 4.16Å; E758-F784 HydrophobicContact CG-CE2 4.3Å; E758-F784 HydrophobicContact CG-CZ 3.58Å; K761-F784 HydrophobicContact CD-CB 4.24Å; K761-F784 HydrophobicContact CD-CD2 4.04Å; K761-F784 HydrophobicContact CD-CG 4.06Å; C779-F784 HydrophobicContact CB-CB 4.11Å; C779-F784 PolarHBondContact O-N 3.06Å; F782-F784 HydrophobicContact CB-CD2 3.84Å; F782-F784 HydrophobicContact CB-CE2 3.6Å; F782-F784 HydrophobicContact CB-CZ 4.47Å; F782-F784 PolarHBondContact O-N 3.43Å; F784-H786 PolarHBondContact O-N 3.2Å; F784-D787 HydrophobicContact CB-CB 4.3Å; F784-D787 PolarHBondContact O-N 3.38Å; F784-L788 WeakPolarHBondContact O-CB 3.19Å; F784-L788 PolarHBondContact O-N 3.49Å |
| 785 | V | 79.1 | Confident | 81.3 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.6 | -41.9 | -173.1 | -177 | 0 | 0 | 0 | 0 | 111.1 | D783 L788 V789 Y804 V816 | D783-V785 PolarHBondContact O-N 2.86Å; V785-L788 WeakPolarHBondContact O-CB 3.46Å; V785-L788 PolarHBondContact O-N 3.48Å; V785-V789 HydrophobicContact CG1-CG2 4.44Å; V785-V789 VanDerWaalsContact O-CG2 3.3Å; V785-V789 WeakPolarHBondContact O-CG2 3.37Å; V785-V789 PolarHBondContact O-N 2.96Å; V785-Y804 HydrophobicContact CG1-CE1 3.63Å; V785-Y804 WeakPolarHBondContact CG1-OH 3.47Å; V785-Y804 WeakPolarHBondContact CG2-OH 3.22Å; V785-V816 HydrophobicContact CG1-CG2 3.93Å |
| 786 | H | 75.6 | Confident | 81.1 | Confident | 75 Ų | 75 | 49.2 Ų | 49.2 | 35% | 0.347 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.1 | -47 | 177.8 | -168.4 | 86.6 | 0 | 0 | 0 | 111.2 | F784 L788 V789 L790 D822 | F784-H786 PolarHBondContact O-N 3.2Å; H786-L788 VanDerWaalsContact C-N 3.3Å; H786-L788 PolarHBondContact O-N 3.1Å; H786-V789 PolarHBondContact O-N 3.45Å; H786-L790 WeakPolarHBondContact O-CG 3.4Å; H786-L790 PolarHBondContact O-N 3.22Å; H786-D822 IonicContact CE1-OD2 2.76Å |
| 787 | D | 79.7 | Confident | 80.9 | Confident | 65 Ų | 65 | 51.4 Ų | 51.4 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59 | -39.9 | 174.2 | -80.9 | 0.4 | 0 | 0 | 0 | 112.6 | K761 F784 Y791 | K761-D787 IonicContact NZ-OD2 2.75Å; K761-D787 PolarHBondContact NZ-OD2 2.94Å; F784-D787 HydrophobicContact CB-CB 4.3Å; F784-D787 PolarHBondContact O-N 3.38Å; D787-Y791 VanDerWaalsContact O-CB 3.31Å; D787-Y791 WeakPolarHBondContact O-CB 3.49Å; D787-Y791 PolarHBondContact O-N 3.5Å |
| 788 | L | 82.9 | Confident | 80.7 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -49.2 | 177.6 | 178.9 | 69.2 | 0 | 0 | 0 | 110.7 | L775 I776 C779 F784 V785 H786 L790 Y791 L792 Y804 | L775-L788 HydrophobicContact CG-CD1 4.37Å; I776-L788 HydrophobicContact CG1-CD1 4.25Å; I776-L788 HydrophobicContact CG1-CD2 4.5Å; I776-L788 HydrophobicContact CG2-CD2 4.32Å; C779-L788 HydrophobicContact CB-CB 3.74Å; C779-L788 HydrophobicContact CB-CD1 3.99Å; C779-L788 HydrophobicContact CB-CD2 3.9Å; C779-L788 HydrophobicContact CB-CG 4.08Å; F784-L788 WeakPolarHBondContact O-CB 3.19Å; F784-L788 PolarHBondContact O-N 3.49Å; V785-L788 WeakPolarHBondContact O-CB 3.46Å; V785-L788 PolarHBondContact O-N 3.48Å; H786-L788 VanDerWaalsContact C-N 3.3Å; H786-L788 PolarHBondContact O-N 3.1Å; L788-L790 VanDerWaalsContact C-N 3.31Å; L788-L790 PolarHBondContact O-N 2.81Å; L788-Y791 PolarHBondContact O-N 3.35Å; L788-L792 HydrophobicContact CD1-CD1 3.82Å; L788-L792 HydrophobicContact CD1-CD2 4.44Å; L788-L792 HydrophobicContact CD1-CG 3.91Å; L788-L792 HydrophobicContact CD2-CD1 4.36Å; L788-L792 HydrophobicContact CG-CD1 3.78Å; L788-L792 HydrophobicContact CG-CG 4.19Å; L788-L792 WeakPolarHBondContact O-CB 3.41Å; L788-L792 VanDerWaalsContact O-CG 3.29Å; L788-L792 WeakPolarHBondContact O-CG 3.2Å; L788-L792 PolarHBondContact O-N 3.08Å; L788-Y804 HydrophobicContact CD2-CD2 4.44Å; L788-Y804 HydrophobicContact CD2-CG 4.46Å |
| 789 | V | 82.4 | Confident | 80.5 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 178.6 | 173 | 0 | 0 | 0 | 0 | 109.9 | V785 H786 F793 I801 V816 L820 | V785-V789 HydrophobicContact CG1-CG2 4.44Å; V785-V789 VanDerWaalsContact O-CG2 3.3Å; V785-V789 WeakPolarHBondContact O-CG2 3.37Å; V785-V789 PolarHBondContact O-N 2.96Å; H786-V789 PolarHBondContact O-N 3.45Å; V789-F793 WeakPolarHBondContact O-CB 3.34Å; V789-F793 PolarHBondContact O-N 2.85Å; V789-I801 HydrophobicContact CG1-CD1 4.48Å; V789-V816 HydrophobicContact CG2-CG1 4.17Å; V789-V816 HydrophobicContact CG2-CG2 4.12Å; V789-L820 HydrophobicContact CG1-CD2 4.14Å; V789-L820 HydrophobicContact CG1-CG 4.42Å |
| 790 | L | 80.5 | Confident | 80.5 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 18% | 0.183 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 175.6 | -68.8 | 177.2 | 0 | 0 | 0 | 112.5 | H786 L788 R794 V823 | H786-L790 WeakPolarHBondContact O-CG 3.4Å; H786-L790 PolarHBondContact O-N 3.22Å; L788-L790 VanDerWaalsContact C-N 3.31Å; L788-L790 PolarHBondContact O-N 2.81Å; L790-R794 VanDerWaalsContact O-CB 3.28Å; L790-R794 WeakPolarHBondContact O-CB 3.19Å; L790-R794 VanDerWaalsContact O-CG 3.23Å; L790-R794 WeakPolarHBondContact O-CG 3.4Å; L790-R794 PolarHBondContact O-N 2.95Å; L790-V823 HydrophobicContact CD2-CG1 3.44Å; L790-V823 VanDerWaalsContact CD2-CG1 3.44Å |
| 791 | Y | 82.4 | Confident | 80.5 | Confident | 43 Ų | 43 | 64.4 Ų | 64.4 | 17% | 0.169 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.1 | -45.9 | 179.9 | 176.6 | -95.9 | 0 | 0 | 0 | 112.3 | K765 L775 D787 L788 N795 | K765-Y791 HydrophobicContact CB-CE2 4.22Å; K765-Y791 HydrophobicContact CD-CD2 4.09Å; K765-Y791 HydrophobicContact CD-CE2 4.15Å; K765-Y791 HydrophobicContact CG-CD2 4.18Å; K765-Y791 HydrophobicContact CG-CE1 4.46Å; K765-Y791 HydrophobicContact CG-CE2 3.81Å; L775-Y791 HydrophobicContact CD2-CD1 3.75Å; L775-Y791 HydrophobicContact CD2-CE1 3.48Å; L775-Y791 VanDerWaalsContact CD2-CE1 3.48Å; D787-Y791 VanDerWaalsContact O-CB 3.31Å; D787-Y791 WeakPolarHBondContact O-CB 3.49Å; D787-Y791 PolarHBondContact O-N 3.5Å; L788-Y791 PolarHBondContact O-N 3.35Å; Y791-N795 VanDerWaalsContact CD2-ND2 3.32Å; Y791-N795 WeakPolarHBondContact CD2-ND2 3.22Å; Y791-N795 WeakPolarHBondContact CE2-ND2 3.41Å; Y791-N795 VanDerWaalsContact CZ-ND2 3.32Å; Y791-N795 WeakPolarHBondContact O-CB 3.35Å; Y791-N795 PolarHBondContact O-N 3.19Å; Y791-N795 VanDerWaalsContact O-N 3.14Å; Y791-N795 PolarHBondContact O-ND2 3.02Å |
| 792 | L | 82.9 | Confident | 80.5 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.2 | -42 | 178.6 | -68.5 | 179.2 | 0 | 0 | 0 | 110.7 | L788 N795 N796 L797 I801 | L788-L792 HydrophobicContact CD1-CD1 3.82Å; L788-L792 HydrophobicContact CD1-CD2 4.44Å; L788-L792 HydrophobicContact CD1-CG 3.91Å; L788-L792 HydrophobicContact CD2-CD1 4.36Å; L788-L792 HydrophobicContact CG-CD1 3.78Å; L788-L792 HydrophobicContact CG-CG 4.19Å; L788-L792 WeakPolarHBondContact O-CB 3.41Å; L788-L792 VanDerWaalsContact O-CG 3.29Å; L788-L792 WeakPolarHBondContact O-CG 3.2Å; L788-L792 PolarHBondContact O-N 3.08Å; L792-N795 PolarHBondContact O-N 3.48Å; L792-N796 PolarHBondContact O-N 3.27Å; L792-L797 HydrophobicContact CB-CB 4.24Å; L792-L797 HydrophobicContact CD2-CB 3.9Å; L792-L797 HydrophobicContact CD2-CD1 3.86Å; L792-L797 WeakPolarHBondContact O-CA 3.45Å; L792-L797 WeakPolarHBondContact O-CB 3.31Å; L792-L797 PolarHBondContact O-N 3.07Å; L792-I801 HydrophobicContact CB-CD1 4.14Å; L792-I801 HydrophobicContact CB-CG1 3.79Å; L792-I801 HydrophobicContact CD1-CG1 3.92Å |
| 793 | F | 78 | Confident | 80.4 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 26% | 0.259 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.3 | -46.9 | 178.5 | -169 | -101.3 | 0 | 0 | 0 | 111.9 | V789 N795 N796 Q798 I801 V823 | V789-F793 WeakPolarHBondContact O-CB 3.34Å; V789-F793 PolarHBondContact O-N 2.85Å; F793-N795 VanDerWaalsContact C-N 3.25Å; F793-N795 PolarHBondContact O-N 3.32Å; F793-N796 PolarHBondContact O-N 3.38Å; F793-Q798 HydrophobicContact CD2-CG 4.35Å; F793-I801 HydrophobicContact CB-CD1 4.22Å; F793-I801 HydrophobicContact CD2-CD1 4.48Å; F793-V823 HydrophobicContact CD1-CG2 4.42Å; F793-V823 HydrophobicContact CE1-CG2 4.48Å |
| 794 | R | 79.9 | Confident | 80.6 | Confident | 196 Ų | 196 | 59.9 Ų | 59.9 | 74% | 0.74 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.9 | -29.9 | 178.4 | -76.3 | 178.5 | -179 | -177.7 | 2.8 | 113.7 | L790 N796 | L790-R794 VanDerWaalsContact O-CB 3.28Å; L790-R794 WeakPolarHBondContact O-CB 3.19Å; L790-R794 VanDerWaalsContact O-CG 3.23Å; L790-R794 WeakPolarHBondContact O-CG 3.4Å; L790-R794 PolarHBondContact O-N 2.95Å; R794-N796 VanDerWaalsContact C-N 3.34Å |
| 795 | N | 80.7 | Confident | 80.5 | Confident | 81 Ų | 81 | 57.9 Ų | 57.9 | 43% | 0.433 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 13.2 | 177.4 | -68.1 | -59.4 | 0 | 0 | 0 | 113.5 | Y791 L792 F793 L797 | Y791-N795 VanDerWaalsContact CD2-ND2 3.32Å; Y791-N795 WeakPolarHBondContact CD2-ND2 3.22Å; Y791-N795 WeakPolarHBondContact CE2-ND2 3.41Å; Y791-N795 VanDerWaalsContact CZ-ND2 3.32Å; Y791-N795 WeakPolarHBondContact O-CB 3.35Å; Y791-N795 PolarHBondContact O-N 3.19Å; Y791-N795 VanDerWaalsContact O-N 3.14Å; Y791-N795 PolarHBondContact O-ND2 3.02Å; L792-N795 PolarHBondContact O-N 3.48Å; F793-N795 VanDerWaalsContact C-N 3.25Å; F793-N795 PolarHBondContact O-N 3.32Å; N795-L797 HydrophobicContact CB-CD1 4.07Å; N795-L797 HydrophobicContact CB-CG 4.09Å; N795-L797 PolarHBondContact O-N 2.87Å |
| 796 | N | 80 | Confident | 80.5 | Confident | 138 Ų | 138 | 62.4 Ų | 62.4 | 74% | 0.738 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 28.9 | -177.9 | -63.6 | -40.9 | 0 | 0 | 0 | 114.5 | L792 F793 R794 Q798 | L792-N796 PolarHBondContact O-N 3.27Å; F793-N796 PolarHBondContact O-N 3.38Å; R794-N796 VanDerWaalsContact C-N 3.34Å; N796-Q798 VanDerWaalsContact C-N 3.33Å; N796-Q798 PolarHBondContact O-N 2.89Å |
| 797 | L | 81 | Confident | 80.4 | Confident | 48 Ų | 48 | 67 Ų | 67 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | trans | -94.3 | 42.8 | -179.7 | -63.3 | 176.3 | 0 | 0 | 0 | 112.2 | Q772 L792 N795 K799 Y800 | Q772-L797 HydrophobicContact CG-CD1 4.31Å; L792-L797 HydrophobicContact CB-CB 4.24Å; L792-L797 HydrophobicContact CD2-CB 3.9Å; L792-L797 HydrophobicContact CD2-CD1 3.86Å; L792-L797 WeakPolarHBondContact O-CA 3.45Å; L792-L797 WeakPolarHBondContact O-CB 3.31Å; L792-L797 PolarHBondContact O-N 3.07Å; N795-L797 HydrophobicContact CB-CD1 4.07Å; N795-L797 HydrophobicContact CB-CG 4.09Å; N795-L797 PolarHBondContact O-N 2.87Å; L797-K799 VanDerWaalsContact C-N 3.28Å; L797-K799 PolarHBondContact O-N 3.43Å; L797-Y800 HydrophobicContact CB-CD2 4Å; L797-Y800 HydrophobicContact CD2-CD2 4.1Å; L797-Y800 HydrophobicContact CD2-CE2 4.16Å; L797-Y800 HydrophobicContact CG-CD2 4.48Å; L797-Y800 WeakPolarHBondContact O-CB 3.29Å; L797-Y800 PolarHBondContact O-N 2.97Å | ||
| 798 | Q | 76.5 | Confident | 80.2 | Confident | 95 Ų | 95 | 66.3 Ų | 66.3 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.9 | -36.2 | -174.2 | -65 | 175.5 | 1.7 | 0 | 0 | 113.3 | F793 N796 Y800 I801 E802 | F793-Q798 HydrophobicContact CD2-CG 4.35Å; N796-Q798 VanDerWaalsContact C-N 3.33Å; N796-Q798 PolarHBondContact O-N 2.89Å; Q798-Y800 PolarHBondContact O-N 3.41Å; Q798-I801 WeakPolarHBondContact O-CA 3.43Å; Q798-I801 WeakPolarHBondContact O-CB 3.35Å; Q798-I801 PolarHBondContact O-N 3.36Å; Q798-E802 PolarHBondContact O-N 3.26Å |
| 799 | K | 80.5 | Confident | 80 | Confident | 155 Ų | 155 | 68 Ų | 68 | 67% | 0.674 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.7 | -30 | 176 | -166.7 | 175.7 | -177.8 | 178.9 | 0 | 112.7 | L797 I803 | L797-K799 VanDerWaalsContact C-N 3.28Å; L797-K799 PolarHBondContact O-N 3.43Å; K799-I803 HydrophobicContact CG-CD1 4.3Å; K799-I803 WeakPolarHBondContact O-CD1 3.13Å; K799-I803 WeakPolarHBondContact O-CG1 3.5Å; K799-I803 PolarHBondContact O-N 3.21Å |
| 800 | Y | 82.9 | Confident | 79.8 | Confident | 63 Ų | 63 | 69.1 Ų | 69.1 | 25% | 0.247 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -75.9 | -26.2 | 175.7 | -75.3 | -79.2 | 0 | 0 | 0 | 112.7 | Q772 I776 L797 Q798 I803 Y804 | Q772-Y800 HydrophobicContact CB-CE1 4.3Å; I776-Y800 HydrophobicContact CD1-CD1 3.68Å; I776-Y800 HydrophobicContact CD1-CG 4.3Å; L797-Y800 HydrophobicContact CB-CD2 4Å; L797-Y800 HydrophobicContact CD2-CD2 4.1Å; L797-Y800 HydrophobicContact CD2-CE2 4.16Å; L797-Y800 HydrophobicContact CG-CD2 4.48Å; L797-Y800 WeakPolarHBondContact O-CB 3.29Å; L797-Y800 PolarHBondContact O-N 2.97Å; Q798-Y800 PolarHBondContact O-N 3.41Å; Y800-I803 HydrophobicContact CD1-CD1 4.31Å; Y800-I803 PolarHBondContact O-N 3Å; Y800-Y804 VanDerWaalsContact O-CB 3.31Å; Y800-Y804 WeakPolarHBondContact O-CB 3.46Å; Y800-Y804 PolarHBondContact O-N 2.83Å |
| 801 | I | 82 | Confident | 79.9 | Confident | 11 Ų | 11 | 69.9 Ų | 69.9 | 6% | 0.056 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68 | -43.5 | 171.4 | -56.4 | 174.4 | 0 | 0 | 0 | 109.6 | V789 L792 F793 Q798 Y804 V805 V816 | V789-I801 HydrophobicContact CG1-CD1 4.48Å; L792-I801 HydrophobicContact CB-CD1 4.14Å; L792-I801 HydrophobicContact CB-CG1 3.79Å; L792-I801 HydrophobicContact CD1-CG1 3.92Å; F793-I801 HydrophobicContact CB-CD1 4.22Å; F793-I801 HydrophobicContact CD2-CD1 4.48Å; Q798-I801 WeakPolarHBondContact O-CA 3.43Å; Q798-I801 WeakPolarHBondContact O-CB 3.35Å; Q798-I801 PolarHBondContact O-N 3.36Å; I801-Y804 WeakPolarHBondContact O-CB 3.33Å; I801-Y804 PolarHBondContact O-N 3.15Å; I801-V805 PolarHBondContact O-N 3.02Å; I801-V805 VanDerWaalsContact O-N 3.09Å; I801-V816 HydrophobicContact CG2-CG1 4.14Å |
| 802 | E | 79.1 | Confident | 79.8 | Confident | 93 Ų | 93 | 71.8 Ų | 71.8 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 173.3 | -67 | -179.6 | 174.5 | 0 | 0 | 111.4 | Q798 Y804 V805 Q806 | Q798-E802 PolarHBondContact O-N 3.26Å; E802-Y804 VanDerWaalsContact C-N 3.27Å; E802-Y804 PolarHBondContact O-N 2.98Å; E802-V805 PolarHBondContact O-N 2.8Å; E802-Q806 WeakPolarHBondContact O-CB 3.37Å; E802-Q806 WeakPolarHBondContact O-CG 3.29Å; E802-Q806 PolarHBondContact O-N 3.46Å |
| 803 | I | 80.3 | Confident | 79.8 | Confident | 48 Ų | 48 | 71.7 Ų | 71.7 | 25% | 0.246 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 176.7 | -69.9 | 163.8 | 0 | 0 | 0 | 111 | K799 Y800 K807 V808 | K799-I803 HydrophobicContact CG-CD1 4.3Å; K799-I803 WeakPolarHBondContact O-CD1 3.13Å; K799-I803 WeakPolarHBondContact O-CG1 3.5Å; K799-I803 PolarHBondContact O-N 3.21Å; Y800-I803 HydrophobicContact CD1-CD1 4.31Å; Y800-I803 PolarHBondContact O-N 3Å; I803-K807 HydrophobicContact CG2-CB 4.4Å; I803-K807 HydrophobicContact CG2-CD 4.39Å; I803-K807 WeakPolarHBondContact O-CA 3.37Å; I803-K807 WeakPolarHBondContact O-CB 3.47Å; I803-K807 PolarHBondContact O-N 3.19Å; I803-V808 PolarHBondContact O-N 3.17Å |
| 804 | Y | 82.6 | Confident | 80.1 | Confident | 1 Ų | 1 | 69 Ų | 69 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | I | π-helix | trans | -60.5 | -54.5 | 178 | 170.4 | -118.3 | 0 | 0 | 0 | 111.5 | I776 D780 V785 L788 Y800 I801 E802 Q806 V808 N809 R812 V816 | I776-Y804 HydrophobicContact CG2-CD2 3.88Å; D780-Y804 HydrophobicContact CB-CE2 3.76Å; D780-Y804 WeakPolarHBondContact OD1-CE2 3.43Å; D780-Y804 PolarHBondContact OD1-OH 2.79Å; D780-Y804 VanDerWaalsContact OD1-OH 3.14Å; V785-Y804 HydrophobicContact CG1-CE1 3.63Å; V785-Y804 WeakPolarHBondContact CG1-OH 3.47Å; V785-Y804 WeakPolarHBondContact CG2-OH 3.22Å; L788-Y804 HydrophobicContact CD2-CD2 4.44Å; L788-Y804 HydrophobicContact CD2-CG 4.46Å; Y800-Y804 VanDerWaalsContact O-CB 3.31Å; Y800-Y804 WeakPolarHBondContact O-CB 3.46Å; Y800-Y804 PolarHBondContact O-N 2.83Å; I801-Y804 WeakPolarHBondContact O-CB 3.33Å; I801-Y804 PolarHBondContact O-N 3.15Å; E802-Y804 VanDerWaalsContact C-N 3.27Å; E802-Y804 PolarHBondContact O-N 2.98Å; Y804-Q806 PolarHBondContact O-N 2.72Å; Y804-V808 HydrophobicContact CD2-CB 3.83Å; Y804-V808 HydrophobicContact CD2-CG1 4.02Å; Y804-V808 HydrophobicContact CD2-CG2 4.43Å; Y804-V808 HydrophobicContact CE2-CB 4.39Å; Y804-V808 HydrophobicContact CE2-CG1 4.22Å; Y804-V808 WeakPolarHBondContact O-CA 3.42Å; Y804-V808 VanDerWaalsContact O-CB 3.31Å; Y804-V808 WeakPolarHBondContact O-CB 3.5Å; Y804-V808 PolarHBondContact O-N 3.03Å; Y804-N809 HydrophobicContact CE2-CB 4.13Å; Y804-N809 PolarHBondContact O-N 2.68Å; Y804-R812 HydrophobicContact CE1-CB 4.42Å; Y804-R812 WeakPolarHBondContact OH-CB 3.15Å; Y804-R812 WeakPolarHBondContact OH-CG 3.27Å; Y804-V816 HydrophobicContact CD1-CG2 4.11Å; Y804-V816 HydrophobicContact CE1-CG2 3.64Å |
| 805 | V | 81.1 | Confident | 80.1 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -72.3 | -30.6 | -177.8 | -172.1 | 0 | 0 | 0 | 0 | 112 | I801 E802 P810 L813 V816 V837 | I801-V805 PolarHBondContact O-N 3.02Å; I801-V805 VanDerWaalsContact O-N 3.09Å; E802-V805 PolarHBondContact O-N 2.8Å; V805-P810 WeakPolarHBondContact O-CA 3.37Å; V805-P810 WeakPolarHBondContact O-CG 3.33Å; V805-L813 HydrophobicContact CG1-CB 4.31Å; V805-L813 HydrophobicContact CG1-CD1 3.73Å; V805-V816 HydrophobicContact CG2-CB 4.26Å; V805-V816 HydrophobicContact CG2-CG1 4Å; V805-V816 HydrophobicContact CG2-CG2 3.98Å; V805-V837 HydrophobicContact CG1-CG1 4.42Å; V805-V837 HydrophobicContact CG1-CG2 3.65Å |
| 806 | Q | 78.5 | Confident | 80.3 | Confident | 98 Ų | 98 | 58.2 Ų | 58.2 | 46% | 0.458 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -83 | -41.7 | -178.6 | -70.4 | 176.8 | 7.9 | 0 | 0 | 114.1 | E802 Y804 V836 | E802-Q806 WeakPolarHBondContact O-CB 3.37Å; E802-Q806 WeakPolarHBondContact O-CG 3.29Å; E802-Q806 PolarHBondContact O-N 3.46Å; Y804-Q806 PolarHBondContact O-N 2.72Å; Q806-V836 HydrophobicContact CG-CG1 4.42Å |
| 807 | K | 74.3 | Confident | 80.4 | Confident | 171 Ų | 171 | 51.8 Ų | 51.8 | 74% | 0.743 | 25% | 0.253 | S | S | * | . | I | π-helix | trans | -112 | -26.3 | -169.7 | -65.1 | -168.9 | 176.9 | -176.6 | 0 | 114.2 | I803 | I803-K807 HydrophobicContact CG2-CB 4.4Å; I803-K807 HydrophobicContact CG2-CD 4.39Å; I803-K807 WeakPolarHBondContact O-CA 3.37Å; I803-K807 WeakPolarHBondContact O-CB 3.47Å; I803-K807 PolarHBondContact O-N 3.19Å |
| 808 | V | 75 | Confident | 80.5 | Confident | 51 Ų | 51 | 49.5 Ų | 49.5 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -97.7 | -59.4 | -174 | -174.3 | 0 | 0 | 0 | 0 | 110 | I776 D780 I803 Y804 | I776-V808 HydrophobicContact CG2-CG1 4.42Å; I776-V808 HydrophobicContact CG2-CG2 4.15Å; D780-V808 HydrophobicContact CB-CG1 4.42Å; I803-V808 PolarHBondContact O-N 3.17Å; Y804-V808 HydrophobicContact CD2-CB 3.83Å; Y804-V808 HydrophobicContact CD2-CG1 4.02Å; Y804-V808 HydrophobicContact CD2-CG2 4.43Å; Y804-V808 HydrophobicContact CE2-CB 4.39Å; Y804-V808 HydrophobicContact CE2-CG1 4.22Å; Y804-V808 WeakPolarHBondContact O-CA 3.42Å; Y804-V808 VanDerWaalsContact O-CB 3.31Å; Y804-V808 WeakPolarHBondContact O-CB 3.5Å; Y804-V808 PolarHBondContact O-N 3.03Å |
| 809 | N | 78.7 | Confident | 80.7 | Confident | 37 Ų | 37 | 45 Ų | 45 | 20% | 0.198 | 22% | 0.221 | C | C | . | . | trans | -152.3 | 90.9 | -175.2 | -162.4 | -13.2 | 0 | 0 | 0 | 113.9 | D780 Y804 A811 R812 | D780-N809 WeakPolarHBondContact OD1-CB 3.28Å; D780-N809 PolarHBondContact OD1-ND2 3.26Å; Y804-N809 HydrophobicContact CE2-CB 4.13Å; Y804-N809 PolarHBondContact O-N 2.68Å; N809-A811 VanDerWaalsContact C-N 3.27Å; N809-A811 PolarHBondContact O-N 2.76Å; N809-A811 PolarHBondContact OD1-N 3.47Å; N809-R812 HydrophobicContact CB-CG 4.3Å; N809-R812 WeakPolarHBondContact ND2-CG 3.38Å; N809-R812 PolarHBondContact O-N 2.88Å | ||
| 810 | P | 79.8 | Confident | 80.9 | Confident | 26 Ų | 26 | 37.9 Ų | 37.9 | 17% | 0.169 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -63.4 | -27.3 | 177.1 | -24 | 34.9 | 0 | 0 | 0 | 114.5 | V805 R812 L813 V837 Q840 | V805-P810 WeakPolarHBondContact O-CA 3.37Å; V805-P810 WeakPolarHBondContact O-CG 3.33Å; P810-R812 PolarHBondContact O-N 3.32Å; P810-L813 WeakPolarHBondContact O-CB 3.49Å; P810-L813 PolarHBondContact O-N 2.97Å; P810-V837 HydrophobicContact CB-CG1 4.15Å; P810-Q840 HydrophobicContact CB-CB 4.04Å |
| 811 | A | 81.4 | Confident | 80.7 | Confident | 51 Ų | 51 | 36.4 Ų | 36.4 | 42% | 0.421 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -67.4 | -21.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | N809 L813 P814 Q840 | N809-A811 VanDerWaalsContact C-N 3.27Å; N809-A811 PolarHBondContact O-N 2.76Å; N809-A811 PolarHBondContact OD1-N 3.47Å; A811-L813 PolarHBondContact O-N 3.36Å; A811-P814 VanDerWaalsContact O-CD 3.23Å; A811-P814 WeakPolarHBondContact O-CD 3.17Å; A811-Q840 VanDerWaalsContact CA-O 3.28Å; A811-Q840 WeakPolarHBondContact CA-O 3.3Å |
| 812 | R | 80.6 | Confident | 80.6 | Confident | 83 Ų | 83 | 40 Ų | 40 | 31% | 0.313 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -82 | 5.5 | 178.5 | -63.4 | -64.5 | -173.1 | 170.7 | 4.9 | 113.8 | D783 Y804 N809 P810 P814 V815 V816 | D783-R812 IonicContact OD1-CZ 2.72Å; D783-R812 IonicContact OD1-NH1 2.86Å; D783-R812 PolarHBondContact OD1-NH1 3.38Å; D783-R812 IonicContact OD1-NH2 3.66Å; D783-R812 PolarHBondContact OD1-NH2 3.31Å; D783-R812 IonicContact OD2-NH2 3.85Å; Y804-R812 HydrophobicContact CE1-CB 4.42Å; Y804-R812 WeakPolarHBondContact OH-CB 3.15Å; Y804-R812 WeakPolarHBondContact OH-CG 3.27Å; N809-R812 HydrophobicContact CB-CG 4.3Å; N809-R812 WeakPolarHBondContact ND2-CG 3.38Å; N809-R812 PolarHBondContact O-N 2.88Å; P810-R812 PolarHBondContact O-N 3.32Å; R812-P814 VanDerWaalsContact C-CD 3.42Å; R812-P814 VanDerWaalsContact C-N 3.34Å; R812-V815 PolarHBondContact O-N 2.83Å; R812-V815 VanDerWaalsContact O-N 3.17Å; R812-V816 WeakPolarHBondContact O-CG2 3.34Å; R812-V816 PolarHBondContact O-N 3.05Å |
| 813 | L | 82.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -48.7 | -46.2 | 176.1 | -175.3 | 76.8 | 0 | 0 | 0 | 113.2 | V805 P810 A811 V815 V816 V817 L833 M834 V837 F841 | V805-L813 HydrophobicContact CG1-CB 4.31Å; V805-L813 HydrophobicContact CG1-CD1 3.73Å; P810-L813 WeakPolarHBondContact O-CB 3.49Å; P810-L813 PolarHBondContact O-N 2.97Å; A811-L813 PolarHBondContact O-N 3.36Å; L813-V815 VanDerWaalsContact C-N 3.33Å; L813-V815 PolarHBondContact O-N 3.27Å; L813-V816 PolarHBondContact O-N 3.35Å; L813-V817 HydrophobicContact CD1-CG2 4.09Å; L813-V817 HydrophobicContact CG-CG2 4.05Å; L813-V817 WeakPolarHBondContact O-CB 3.4Å; L813-V817 VanDerWaalsContact O-CG2 3.27Å; L813-V817 WeakPolarHBondContact O-CG2 3.19Å; L813-V817 PolarHBondContact O-N 3.01Å; L813-L833 HydrophobicContact CD1-CD2 3.33Å; L813-L833 HydrophobicContact CD1-CG 3.72Å; L813-M834 HydrophobicContact CD2-CG 4.49Å; L813-V837 HydrophobicContact CD1-CB 4.33Å; L813-V837 HydrophobicContact CD1-CG2 4.17Å; L813-V837 HydrophobicContact CD2-CB 4.11Å; L813-V837 HydrophobicContact CD2-CG1 4.07Å; L813-F841 HydrophobicContact CB-CB 4.31Å; L813-F841 HydrophobicContact CB-CD1 4.19Å; L813-F841 HydrophobicContact CB-CG 4.26Å; L813-F841 HydrophobicContact CD2-CD1 3.32Å; L813-F841 HydrophobicContact CD2-CD2 4.35Å; L813-F841 HydrophobicContact CD2-CE1 3.21Å; L813-F841 HydrophobicContact CD2-CE2 4.28Å; L813-F841 HydrophobicContact CD2-CG 3.91Å; L813-F841 HydrophobicContact CD2-CZ 3.73Å; L813-F841 HydrophobicContact CG-CD1 4.37Å |
| 814 | P | 83.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.6 | -41.9 | -178.6 | -24.5 | 36 | 0 | 0 | 0 | 112.9 | A811 R812 V817 G818 F841 E845 L846 | A811-P814 VanDerWaalsContact O-CD 3.23Å; A811-P814 WeakPolarHBondContact O-CD 3.17Å; R812-P814 VanDerWaalsContact C-CD 3.42Å; R812-P814 VanDerWaalsContact C-N 3.34Å; P814-V817 PolarHBondContact O-N 2.97Å; P814-G818 PolarHBondContact O-N 2.84Å; P814-F841 HydrophobicContact CG-CB 4.19Å; P814-F841 HydrophobicContact CG-CD2 4.27Å; P814-E845 HydrophobicContact CB-CB 4.28Å; P814-E845 HydrophobicContact CG-CB 4.36Å; P814-L846 HydrophobicContact CB-CB 4.44Å; P814-L846 HydrophobicContact CB-CD1 4.47Å; P814-L846 HydrophobicContact CG-CB 4.38Å |
| 815 | V | 81.4 | Confident | 80.1 | Confident | 52 Ų | 52 | 43.4 Ų | 43.4 | 32% | 0.315 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -71 | -39.2 | 179 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | R812 L813 G818 G819 | R812-V815 PolarHBondContact O-N 2.83Å; R812-V815 VanDerWaalsContact O-N 3.17Å; L813-V815 VanDerWaalsContact C-N 3.33Å; L813-V815 PolarHBondContact O-N 3.27Å; V815-G818 PolarHBondContact O-N 3.42Å; V815-G819 PolarHBondContact O-N 3.42Å |
| 816 | V | 83.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -43.1 | 175.4 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | V785 V789 I801 Y804 V805 R812 L813 G818 G819 L820 L833 | V785-V816 HydrophobicContact CG1-CG2 3.93Å; V789-V816 HydrophobicContact CG2-CG1 4.17Å; V789-V816 HydrophobicContact CG2-CG2 4.12Å; I801-V816 HydrophobicContact CG2-CG1 4.14Å; Y804-V816 HydrophobicContact CD1-CG2 4.11Å; Y804-V816 HydrophobicContact CE1-CG2 3.64Å; V805-V816 HydrophobicContact CG2-CB 4.26Å; V805-V816 HydrophobicContact CG2-CG1 4Å; V805-V816 HydrophobicContact CG2-CG2 3.98Å; R812-V816 WeakPolarHBondContact O-CG2 3.34Å; R812-V816 PolarHBondContact O-N 3.05Å; L813-V816 PolarHBondContact O-N 3.35Å; V816-G818 VanDerWaalsContact C-N 3.34Å; V816-G819 PolarHBondContact O-N 3.25Å; V816-L820 HydrophobicContact CG1-CD1 3.96Å; V816-L820 HydrophobicContact CG1-CG 4.27Å; V816-L820 WeakPolarHBondContact O-CB 3.41Å; V816-L820 VanDerWaalsContact O-CG 3.24Å; V816-L820 WeakPolarHBondContact O-CG 3.46Å; V816-L820 PolarHBondContact O-N 3.46Å; V816-L833 HydrophobicContact CG1-CD2 4.19Å |
| 817 | V | 83 | Confident | 80 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 174.4 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | L813 P814 G819 L820 L821 I830 L833 L846 | L813-V817 HydrophobicContact CD1-CG2 4.09Å; L813-V817 HydrophobicContact CG-CG2 4.05Å; L813-V817 WeakPolarHBondContact O-CB 3.4Å; L813-V817 VanDerWaalsContact O-CG2 3.27Å; L813-V817 WeakPolarHBondContact O-CG2 3.19Å; L813-V817 PolarHBondContact O-N 3.01Å; P814-V817 PolarHBondContact O-N 2.97Å; V817-G819 PolarHBondContact O-N 2.97Å; V817-L820 PolarHBondContact O-N 2.87Å; V817-L821 HydrophobicContact CG1-CD1 4.05Å; V817-L821 HydrophobicContact CG1-CG 4.41Å; V817-L821 WeakPolarHBondContact O-CB 3.38Å; V817-L821 VanDerWaalsContact O-CG 3.29Å; V817-L821 WeakPolarHBondContact O-CG 3.34Å; V817-L821 PolarHBondContact O-N 2.83Å; V817-I830 HydrophobicContact CG1-CG2 3.75Å; V817-I830 HydrophobicContact CG2-CG2 4.25Å; V817-L833 HydrophobicContact CG2-CD2 4.08Å; V817-L846 HydrophobicContact CB-CD1 4.45Å; V817-L846 HydrophobicContact CG1-CD1 4.34Å |
| 818 | G | 82.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56 | -50.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P814 V815 V816 L820 L821 D822 R853 | P814-G818 PolarHBondContact O-N 2.84Å; V815-G818 PolarHBondContact O-N 3.42Å; V816-G818 VanDerWaalsContact C-N 3.34Å; G818-L820 PolarHBondContact O-N 3.1Å; G818-L821 WeakPolarHBondContact O-CB 3.25Å; G818-L821 PolarHBondContact O-N 2.77Å; G818-D822 PolarHBondContact O-N 3.3Å; G818-R853 VanDerWaalsContact CA-CZ 3.49Å; G818-R853 VanDerWaalsContact CA-NH2 3.28Å |
| 819 | G | 81.6 | Confident | 80.4 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.7 | -37.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | V815 V816 V817 D822 V823 | V815-G819 PolarHBondContact O-N 3.42Å; V816-G819 PolarHBondContact O-N 3.25Å; V817-G819 PolarHBondContact O-N 2.97Å; G819-D822 PolarHBondContact O-N 3.5Å; G819-V823 WeakPolarHBondContact O-CG2 3.4Å; G819-V823 PolarHBondContact O-N 3.33Å |
| 820 | L | 82.9 | Confident | 80.5 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.9 | -36.7 | 175 | -72.8 | 173.6 | 0 | 0 | 0 | 112.2 | V789 V816 V817 G818 D822 V823 C825 I830 L833 | V789-L820 HydrophobicContact CG1-CD2 4.14Å; V789-L820 HydrophobicContact CG1-CG 4.42Å; V816-L820 HydrophobicContact CG1-CD1 3.96Å; V816-L820 HydrophobicContact CG1-CG 4.27Å; V816-L820 WeakPolarHBondContact O-CB 3.41Å; V816-L820 VanDerWaalsContact O-CG 3.24Å; V816-L820 WeakPolarHBondContact O-CG 3.46Å; V816-L820 PolarHBondContact O-N 3.46Å; V817-L820 PolarHBondContact O-N 2.87Å; G818-L820 PolarHBondContact O-N 3.1Å; L820-D822 VanDerWaalsContact C-N 3.3Å; L820-V823 WeakPolarHBondContact O-CG2 3.49Å; L820-V823 PolarHBondContact O-N 2.98Å; L820-C825 HydrophobicContact CB-CB 3.95Å; L820-C825 HydrophobicContact CD2-CB 4.27Å; L820-C825 WeakPolarHBondContact O-CB 3.35Å; L820-C825 PolarHBondContact O-N 2.95Å; L820-I830 HydrophobicContact CB-CG1 4.5Å; L820-L833 HydrophobicContact CD1-CD2 4.05Å |
| 821 | L | 80.4 | Confident | 80.5 | Confident | 31 Ų | 31 | 45 Ų | 45 | 16% | 0.162 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.5 | -37 | 172.6 | -74.4 | 170 | 0 | 0 | 0 | 111.2 | V817 G818 V823 D824 I830 | V817-L821 HydrophobicContact CG1-CD1 4.05Å; V817-L821 HydrophobicContact CG1-CG 4.41Å; V817-L821 WeakPolarHBondContact O-CB 3.38Å; V817-L821 VanDerWaalsContact O-CG 3.29Å; V817-L821 WeakPolarHBondContact O-CG 3.34Å; V817-L821 PolarHBondContact O-N 2.83Å; G818-L821 WeakPolarHBondContact O-CB 3.25Å; G818-L821 PolarHBondContact O-N 2.77Å; L821-V823 VanDerWaalsContact C-N 3.25Å; L821-V823 PolarHBondContact O-N 3.09Å; L821-D824 PolarHBondContact O-N 3.42Å; L821-I830 HydrophobicContact CD2-CD1 3.37Å; L821-I830 HydrophobicContact CG-CD1 3.71Å |
| 822 | D | 79.3 | Confident | 80.4 | Confident | 87 Ų | 87 | 48.7 Ų | 48.7 | 47% | 0.465 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.1 | -19.4 | 179.7 | -61.1 | -24.7 | 0 | 0 | 0 | 113 | H786 G818 G819 L820 R853 | H786-D822 IonicContact CE1-OD2 2.76Å; G818-D822 PolarHBondContact O-N 3.3Å; G819-D822 PolarHBondContact O-N 3.5Å; L820-D822 VanDerWaalsContact C-N 3.3Å; D822-R853 IonicContact OD1-NE 3.53Å; D822-R853 PolarHBondContact OD1-NE 2.94Å; D822-R853 IonicContact OD1-NH2 3.84Å; D822-R853 IonicContact OD2-NH2 3.15Å |
| 823 | V | 78.7 | Confident | 80.3 | Confident | 45 Ų | 45 | 45.6 Ų | 45.6 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 18.6 | 172.2 | -73.3 | 0 | 0 | 0 | 0 | 113.9 | L790 F793 G819 L820 L821 C825 | L790-V823 HydrophobicContact CD2-CG1 3.44Å; L790-V823 VanDerWaalsContact CD2-CG1 3.44Å; F793-V823 HydrophobicContact CD1-CG2 4.42Å; F793-V823 HydrophobicContact CE1-CG2 4.48Å; G819-V823 WeakPolarHBondContact O-CG2 3.4Å; G819-V823 PolarHBondContact O-N 3.33Å; L820-V823 WeakPolarHBondContact O-CG2 3.49Å; L820-V823 PolarHBondContact O-N 2.98Å; L821-V823 VanDerWaalsContact C-N 3.25Å; L821-V823 PolarHBondContact O-N 3.09Å; V823-C825 PolarHBondContact O-N 3.39Å |
| 824 | D | 74.5 | Confident | 80 | Confident | 152 Ų | 152 | 46.5 Ų | 46.5 | 81% | 0.813 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 39.4 | 179.5 | -68.5 | -46.2 | 0 | 0 | 0 | 113 | L821 | L821-D824 PolarHBondContact O-N 3.42Š|
| 825 | C | 78.1 | Confident | 79.5 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 11% | 0.108 | 27% | 0.27 | C | S | . | . | trans | -60.5 | 147.6 | 173.8 | -166.4 | 0 | 0 | 0 | 0 | 110.5 | L820 V823 E827 | L820-C825 HydrophobicContact CB-CB 3.95Å; L820-C825 HydrophobicContact CD2-CB 4.27Å; L820-C825 WeakPolarHBondContact O-CB 3.35Å; L820-C825 PolarHBondContact O-N 2.95Å; V823-C825 PolarHBondContact O-N 3.39Å; C825-E827 PolarHBondContact O-N 3.36Å | ||
| 826 | S | 80.5 | Confident | 79.2 | Confident | 59 Ų | 59 | 50.8 Ų | 50.8 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | trans | -63.5 | 137.4 | -179.5 | 66 | 0 | 0 | 0 | 0 | 111.2 | D828 I829 I830 | S826-D828 PolarHBondContact O-N 3.32Å; S826-I829 PolarHBondContact O-N 2.86Å; S826-I829 VanDerWaalsContact OG-CD1 3.25Å; S826-I829 WeakPolarHBondContact OG-CD1 3.22Å; S826-I829 VanDerWaalsContact OG-CG1 3.29Å; S826-I829 WeakPolarHBondContact OG-CG1 3.26Å; S826-I830 PolarHBondContact O-N 2.84Å | ||
| 827 | E | 76.7 | Confident | 78.6 | Confident | 86 Ų | 86 | 51.4 Ų | 51.4 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.9 | -25.7 | -179.1 | -66.2 | -173 | 177.9 | 0 | 0 | 112.6 | C825 I830 K831 R855 L858 | C825-E827 PolarHBondContact O-N 3.36Å; E827-I830 PolarHBondContact O-N 3.15Å; E827-K831 WeakPolarHBondContact O-CB 3.38Å; E827-K831 WeakPolarHBondContact O-CD 3.25Å; E827-K831 WeakPolarHBondContact O-CG 3.33Å; E827-K831 PolarHBondContact O-N 3.46Å; E827-K831 IonicContact OE2-NZ 3.47Å; E827-K831 PolarHBondContact OE2-NZ 2.9Å; E827-R855 IonicContact OE1-NH1 2.66Å; E827-L858 HydrophobicContact CB-CD1 4.47Å; E827-L858 HydrophobicContact CG-CD1 4.45Å |
| 828 | D | 80 | Confident | 77.5 | Confident | 113 Ų | 113 | 62 Ų | 62 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66.7 | -36.9 | 177 | -63.5 | -31.4 | 0 | 0 | 0 | 112.3 | S826 K831 Q832 | S826-D828 PolarHBondContact O-N 3.32Å; D828-K831 PolarHBondContact O-N 2.61Å; D828-Q832 VanDerWaalsContact O-CB 3.28Å; D828-Q832 WeakPolarHBondContact O-CB 3.42Å; D828-Q832 PolarHBondContact O-N 2.87Å |
| 829 | I | 78 | Confident | 76.4 | Confident | 66 Ų | 66 | 65.4 Ų | 65.4 | 34% | 0.338 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 175.9 | -67.2 | 168 | 0 | 0 | 0 | 109.8 | S826 Q832 L833 | S826-I829 PolarHBondContact O-N 2.86Å; S826-I829 VanDerWaalsContact OG-CD1 3.25Å; S826-I829 WeakPolarHBondContact OG-CD1 3.22Å; S826-I829 VanDerWaalsContact OG-CG1 3.29Å; S826-I829 WeakPolarHBondContact OG-CG1 3.26Å; I829-Q832 PolarHBondContact O-N 2.67Å; I829-L833 WeakPolarHBondContact O-CB 3.48Å; I829-L833 PolarHBondContact O-N 2.87Å |
| 830 | I | 81 | Confident | 75.8 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.8 | -45 | 177.9 | -62.4 | 172.5 | 0 | 0 | 0 | 110.5 | V817 L820 L821 S826 E827 Q832 L833 M834 L858 | V817-I830 HydrophobicContact CG1-CG2 3.75Å; V817-I830 HydrophobicContact CG2-CG2 4.25Å; L820-I830 HydrophobicContact CB-CG1 4.5Å; L821-I830 HydrophobicContact CD2-CD1 3.37Å; L821-I830 HydrophobicContact CG-CD1 3.71Å; S826-I830 PolarHBondContact O-N 2.84Å; E827-I830 PolarHBondContact O-N 3.15Å; I830-Q832 VanDerWaalsContact C-N 3.31Å; I830-Q832 PolarHBondContact O-N 3.31Å; I830-L833 PolarHBondContact O-N 3.24Å; I830-M834 HydrophobicContact CG2-CG 4.5Å; I830-M834 HydrophobicContact CG2-SD 4.16Å; I830-M834 WeakPolarHBondContact O-CB 3.33Å; I830-M834 WeakPolarHBondContact O-CG 3.27Å; I830-M834 PolarHBondContact O-N 3.09Å; I830-L858 HydrophobicContact CG2-CD2 4.42Å |
| 831 | K | 80.3 | Confident | 75.4 | Confident | 95 Ų | 95 | 72.7 Ų | 72.7 | 41% | 0.413 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 174.9 | -72.9 | 165.9 | -168.1 | 160.5 | 0 | 111.3 | E827 D828 M834 A835 | E827-K831 WeakPolarHBondContact O-CB 3.38Å; E827-K831 WeakPolarHBondContact O-CD 3.25Å; E827-K831 WeakPolarHBondContact O-CG 3.33Å; E827-K831 PolarHBondContact O-N 3.46Å; E827-K831 IonicContact OE2-NZ 3.47Å; E827-K831 PolarHBondContact OE2-NZ 2.9Å; D828-K831 PolarHBondContact O-N 2.61Å; K831-M834 PolarHBondContact O-N 3.34Å; K831-A835 VanDerWaalsContact O-CB 3.26Å; K831-A835 WeakPolarHBondContact O-CB 3.32Å; K831-A835 PolarHBondContact O-N 3.12Å |
| 832 | Q | 79.9 | Confident | 75.1 | Confident | 127 Ų | 127 | 74.7 Ų | 74.7 | 59% | 0.593 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67.2 | -41.8 | 177.8 | -167.4 | 173.6 | 6.4 | 0 | 0 | 111.6 | D828 I829 I830 A835 V836 | D828-Q832 VanDerWaalsContact O-CB 3.28Å; D828-Q832 WeakPolarHBondContact O-CB 3.42Å; D828-Q832 PolarHBondContact O-N 2.87Å; I829-Q832 PolarHBondContact O-N 2.67Å; I830-Q832 VanDerWaalsContact C-N 3.31Å; I830-Q832 PolarHBondContact O-N 3.31Å; Q832-A835 PolarHBondContact O-N 3.25Å; Q832-V836 WeakPolarHBondContact O-CB 3.31Å; Q832-V836 VanDerWaalsContact O-CG2 3.23Å; Q832-V836 WeakPolarHBondContact O-CG2 3.3Å; Q832-V836 PolarHBondContact O-N 2.7Å |
| 833 | L | 77.5 | Confident | 74.8 | Confident | 19 Ų | 19 | 71 Ų | 71 | 10% | 0.099 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 175.3 | -157.9 | 87.9 | 0 | 0 | 0 | 111 | L813 V816 V817 L820 I829 I830 V836 V837 | L813-L833 HydrophobicContact CD1-CD2 3.33Å; L813-L833 HydrophobicContact CD1-CG 3.72Å; V816-L833 HydrophobicContact CG1-CD2 4.19Å; V817-L833 HydrophobicContact CG2-CD2 4.08Å; L820-L833 HydrophobicContact CD1-CD2 4.05Å; I829-L833 WeakPolarHBondContact O-CB 3.48Å; I829-L833 PolarHBondContact O-N 2.87Å; I830-L833 PolarHBondContact O-N 3.24Å; L833-V836 PolarHBondContact O-N 3.01Å; L833-V837 WeakPolarHBondContact O-CB 3.38Å; L833-V837 VanDerWaalsContact O-CG2 3.27Å; L833-V837 WeakPolarHBondContact O-CG2 3.31Å; L833-V837 PolarHBondContact O-N 3Å; L833-V837 VanDerWaalsContact O-N 3.09Å |
| 834 | M | 75.6 | Confident | 74.7 | Confident | 18 Ų | 18 | 73.2 Ų | 73.2 | 9% | 0.089 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 175.9 | -71.8 | 179.4 | 60 | 0 | 0 | 113 | L813 I830 K831 L846 L859 W862 | L813-M834 HydrophobicContact CD2-CG 4.49Å; I830-M834 HydrophobicContact CG2-CG 4.5Å; I830-M834 HydrophobicContact CG2-SD 4.16Å; I830-M834 WeakPolarHBondContact O-CB 3.33Å; I830-M834 WeakPolarHBondContact O-CG 3.27Å; I830-M834 PolarHBondContact O-N 3.09Å; K831-M834 PolarHBondContact O-N 3.34Å; M834-L846 HydrophobicContact CE-CD2 3.81Å; M834-L846 HydrophobicContact SD-CD2 4.49Å; M834-L859 HydrophobicContact CE-CD2 3.69Å; M834-L859 HydrophobicContact SD-CD2 4.31Å; M834-W862 HydrophobicContact CE-CB 4.35Å; M834-W862 HydrophobicContact CE-CD2 4.09Å; M834-W862 HydrophobicContact CE-CG 3.92Å |
| 835 | A | 74.2 | Confident | 74.9 | Confident | 63 Ų | 63 | 70.8 Ų | 70.8 | 52% | 0.521 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.3 | -34 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K831 Q832 | K831-A835 VanDerWaalsContact O-CB 3.26Å; K831-A835 WeakPolarHBondContact O-CB 3.32Å; K831-A835 PolarHBondContact O-N 3.12Å; Q832-A835 PolarHBondContact O-N 3.25Å |
| 836 | V | 74.5 | Confident | 75 | Confident | 81 Ų | 81 | 70 Ų | 70 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -79.4 | -37.1 | -179.7 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | Q806 Q832 L833 R838 | Q806-V836 HydrophobicContact CG-CG1 4.42Å; Q832-V836 WeakPolarHBondContact O-CB 3.31Å; Q832-V836 VanDerWaalsContact O-CG2 3.23Å; Q832-V836 WeakPolarHBondContact O-CG2 3.3Å; Q832-V836 PolarHBondContact O-N 2.7Å; L833-V836 PolarHBondContact O-N 3.01Å; V836-R838 PolarHBondContact O-N 3.02Å; V836-R838 VanDerWaalsContact O-N 3.14Å |
| 837 | V | 70.7 | Confident | 75 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -89 | 76.2 | -178.4 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | V805 P810 L813 L833 G839 F841 | V805-V837 HydrophobicContact CG1-CG1 4.42Å; V805-V837 HydrophobicContact CG1-CG2 3.65Å; P810-V837 HydrophobicContact CB-CG1 4.15Å; L813-V837 HydrophobicContact CD1-CB 4.33Å; L813-V837 HydrophobicContact CD1-CG2 4.17Å; L813-V837 HydrophobicContact CD2-CB 4.11Å; L813-V837 HydrophobicContact CD2-CG1 4.07Å; L833-V837 WeakPolarHBondContact O-CB 3.38Å; L833-V837 VanDerWaalsContact O-CG2 3.27Å; L833-V837 WeakPolarHBondContact O-CG2 3.31Å; L833-V837 PolarHBondContact O-N 3Å; L833-V837 VanDerWaalsContact O-N 3.09Å; V837-G839 PolarHBondContact O-N 3.32Å; V837-F841 HydrophobicContact CG1-CD1 4.21Å; V837-F841 WeakPolarHBondContact O-CE1 3.32Å |
| 838 | R | 60.5 | Low | 75 | Confident | 225 Ų | 225 | 66 Ų | 66 | 85% | 0.849 | 35% | 0.353 | S | S | * | . | trans | -77.4 | 112.4 | 177.2 | -69 | -167.6 | -176.3 | -163.4 | 0.5 | 111.6 | V836 | V836-R838 PolarHBondContact O-N 3.02Å; V836-R838 VanDerWaalsContact O-N 3.14Å | ||
| 839 | G | 60.3 | Low | 75 | Confident | 70 Ų | 70 | 63 Ų | 63 | 72% | 0.722 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 88.2 | 14.9 | 149.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | V837 | V837-G839 PolarHBondContact O-N 3.32Š|
| 840 | Q | 68.5 | Low | 75.2 | Confident | 130 Ų | 130 | 60 Ų | 60 | 61% | 0.607 | 32% | 0.32 | S | S | * | . | trans | -121.9 | 32.8 | -179.5 | -67.5 | -173.1 | -4.2 | 0 | 0 | 114.3 | P810 A811 | P810-Q840 HydrophobicContact CB-CB 4.04Å; A811-Q840 VanDerWaalsContact CA-O 3.28Å; A811-Q840 WeakPolarHBondContact CA-O 3.3Å | ||
| 841 | F | 74.8 | Confident | 75 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 13% | 0.132 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -141.1 | 158.1 | 175.6 | 62.4 | -92.4 | 0 | 0 | 0 | 111.6 | L813 P814 V837 T843 L846 W862 | L813-F841 HydrophobicContact CB-CB 4.31Å; L813-F841 HydrophobicContact CB-CD1 4.19Å; L813-F841 HydrophobicContact CB-CG 4.26Å; L813-F841 HydrophobicContact CD2-CD1 3.32Å; L813-F841 HydrophobicContact CD2-CD2 4.35Å; L813-F841 HydrophobicContact CD2-CE1 3.21Å; L813-F841 HydrophobicContact CD2-CE2 4.28Å; L813-F841 HydrophobicContact CD2-CG 3.91Å; L813-F841 HydrophobicContact CD2-CZ 3.73Å; L813-F841 HydrophobicContact CG-CD1 4.37Å; P814-F841 HydrophobicContact CG-CB 4.19Å; P814-F841 HydrophobicContact CG-CD2 4.27Å; V837-F841 HydrophobicContact CG1-CD1 4.21Å; V837-F841 WeakPolarHBondContact O-CE1 3.32Å; F841-T843 PolarHBondContact O-N 3.15Å; F841-L846 HydrophobicContact CD2-CB 4.34Å; F841-L846 HydrophobicContact CD2-CD2 4.37Å; F841-L846 HydrophobicContact CE2-CB 4.18Å; F841-L846 HydrophobicContact CE2-CD2 3.49Å; F841-L846 VanDerWaalsContact CE2-CD2 3.49Å; F841-L846 HydrophobicContact CE2-CG 4.38Å; F841-L846 HydrophobicContact CZ-CD2 4.07Å; F841-W862 HydrophobicContact CE2-CH2 4.17Å; F841-W862 AromaticContact CE2-CZ2 3.98Å; F841-W862 HydrophobicContact CE2-CZ2 3.98Å; F841-W862 HydrophobicContact CZ-CH2 4.41Å; F841-W862 AromaticContact CZ-CZ2 3.76Å; F841-W862 HydrophobicContact CZ-CZ2 3.76Å |
| 842 | N | 74.2 | Confident | 74.9 | Confident | 74 Ų | 74 | 66.8 Ų | 66.8 | 40% | 0.396 | 35% | 0.351 | S | S | . | . | trans | -74.9 | 120.1 | -178.5 | -174.7 | -8.3 | 0 | 0 | 0 | 111.3 | D844 E845 L846 | N842-D844 VanDerWaalsContact C-N 3.34Å; N842-D844 PolarHBondContact O-N 3.01Å; N842-D844 WeakPolarHBondContact OD1-CB 3.26Å; N842-D844 PolarHBondContact OD1-N 3.43Å; N842-E845 HydrophobicContact CB-CB 4.19Å; N842-E845 HydrophobicContact CB-CG 4.22Å; N842-E845 PolarHBondContact ND2-OE1 2.96Å; N842-E845 PolarHBondContact O-N 2.74Å; N842-L846 PolarHBondContact O-N 2.98Å | ||
| 843 | T | 73.4 | Confident | 74.8 | Confident | 8 Ų | 8 | 63.6 Ų | 63.6 | 5% | 0.049 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 177.9 | -48.7 | 0 | 0 | 0 | 0 | 112.1 | F841 E845 L846 V847 W862 E873 | F841-T843 PolarHBondContact O-N 3.15Å; T843-E845 PolarHBondContact O-N 3.15Å; T843-L846 PolarHBondContact O-N 3.36Å; T843-V847 HydrophobicContact CG2-CG2 4.24Å; T843-V847 WeakPolarHBondContact O-CB 3.34Å; T843-V847 VanDerWaalsContact O-CG2 3.23Å; T843-V847 WeakPolarHBondContact O-CG2 3.25Å; T843-V847 PolarHBondContact O-N 2.72Å; T843-W862 HydrophobicContact CG2-CH2 3.59Å; T843-W862 HydrophobicContact CG2-CZ3 3.69Å; T843-E873 PolarHBondContact OG1-OE2 3.5Å |
| 844 | D | 76.1 | Confident | 74.8 | Confident | 92 Ų | 92 | 70 Ų | 70 | 49% | 0.492 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | -179.2 | -85.6 | -42.8 | 0 | 0 | 0 | 111.6 | N842 V847 A848 A875 | N842-D844 VanDerWaalsContact C-N 3.34Å; N842-D844 PolarHBondContact O-N 3.01Å; N842-D844 WeakPolarHBondContact OD1-CB 3.26Å; N842-D844 PolarHBondContact OD1-N 3.43Å; D844-V847 PolarHBondContact O-N 3.32Å; D844-A848 VanDerWaalsContact O-CB 3.29Å; D844-A848 WeakPolarHBondContact O-CB 3.2Å; D844-A848 PolarHBondContact O-N 3.26Å; D844-A875 VanDerWaalsContact CG-CB 3.42Å; D844-A875 WeakPolarHBondContact OD1-CB 3.25Å |
| 845 | E | 77.8 | Confident | 74.9 | Confident | 101 Ų | 101 | 75.7 Ų | 75.7 | 47% | 0.472 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.6 | -40.8 | 178.6 | -75.3 | 175.1 | -152.3 | 0 | 0 | 111.8 | P814 N842 T843 A848 E849 | P814-E845 HydrophobicContact CB-CB 4.28Å; P814-E845 HydrophobicContact CG-CB 4.36Å; N842-E845 HydrophobicContact CB-CB 4.19Å; N842-E845 HydrophobicContact CB-CG 4.22Å; N842-E845 PolarHBondContact ND2-OE1 2.96Å; N842-E845 PolarHBondContact O-N 2.74Å; T843-E845 PolarHBondContact O-N 3.15Å; E845-A848 PolarHBondContact O-N 3.13Å; E845-E849 VanDerWaalsContact O-CB 3.3Å; E845-E849 WeakPolarHBondContact O-CB 3.24Å; E845-E849 WeakPolarHBondContact O-CG 3.31Å; E845-E849 PolarHBondContact O-N 2.9Å |
| 846 | L | 81.3 | Confident | 75.1 | Confident | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 174.8 | -177 | 68 | 0 | 0 | 0 | 110.9 | P814 V817 M834 F841 N842 T843 A848 E849 V850 L859 W862 | P814-L846 HydrophobicContact CB-CB 4.44Å; P814-L846 HydrophobicContact CB-CD1 4.47Å; P814-L846 HydrophobicContact CG-CB 4.38Å; V817-L846 HydrophobicContact CB-CD1 4.45Å; V817-L846 HydrophobicContact CG1-CD1 4.34Å; M834-L846 HydrophobicContact CE-CD2 3.81Å; M834-L846 HydrophobicContact SD-CD2 4.49Å; F841-L846 HydrophobicContact CD2-CB 4.34Å; F841-L846 HydrophobicContact CD2-CD2 4.37Å; F841-L846 HydrophobicContact CE2-CB 4.18Å; F841-L846 HydrophobicContact CE2-CD2 3.49Å; F841-L846 VanDerWaalsContact CE2-CD2 3.49Å; F841-L846 HydrophobicContact CE2-CG 4.38Å; F841-L846 HydrophobicContact CZ-CD2 4.07Å; N842-L846 PolarHBondContact O-N 2.98Å; T843-L846 PolarHBondContact O-N 3.36Å; L846-A848 VanDerWaalsContact C-N 3.35Å; L846-A848 PolarHBondContact O-N 3.15Å; L846-E849 PolarHBondContact O-N 3.13Å; L846-V850 HydrophobicContact CD1-CG2 4.24Å; L846-V850 HydrophobicContact CG-CG2 4.47Å; L846-V850 WeakPolarHBondContact O-CB 3.43Å; L846-V850 VanDerWaalsContact O-CG2 3.22Å; L846-V850 WeakPolarHBondContact O-CG2 3.35Å; L846-V850 PolarHBondContact O-N 3.08Å; L846-L859 HydrophobicContact CD2-CD2 3.95Å; L846-L859 HydrophobicContact CG-CD2 4.3Å; L846-W862 HydrophobicContact CD2-CH2 4.42Å; L846-W862 HydrophobicContact CD2-CZ3 4.44Å |
| 847 | V | 79.2 | Confident | 75.2 | Confident | 10 Ų | 10 | 78 Ų | 78 | 6% | 0.061 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 178.2 | 172.5 | 0 | 0 | 0 | 0 | 110.1 | T843 D844 V850 E851 L856 L859 A879 | T843-V847 HydrophobicContact CG2-CG2 4.24Å; T843-V847 WeakPolarHBondContact O-CB 3.34Å; T843-V847 VanDerWaalsContact O-CG2 3.23Å; T843-V847 WeakPolarHBondContact O-CG2 3.25Å; T843-V847 PolarHBondContact O-N 2.72Å; D844-V847 PolarHBondContact O-N 3.32Å; V847-V850 PolarHBondContact O-N 3.11Å; V847-E851 WeakPolarHBondContact O-CB 3.46Å; V847-E851 PolarHBondContact O-N 2.9Å; V847-L856 HydrophobicContact CG1-CD1 3.91Å; V847-L859 HydrophobicContact CB-CD1 4.43Å; V847-L859 HydrophobicContact CG2-CD1 3.87Å; V847-A879 HydrophobicContact CG1-CB 4.08Å; V847-A879 HydrophobicContact CG2-CB 4.35Å |
| 848 | A | 77.7 | Confident | 75.7 | Confident | 49 Ų | 49 | 78.9 Ų | 78.9 | 41% | 0.405 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D844 E845 L846 V850 E851 K852 | D844-A848 VanDerWaalsContact O-CB 3.29Å; D844-A848 WeakPolarHBondContact O-CB 3.2Å; D844-A848 PolarHBondContact O-N 3.26Å; E845-A848 PolarHBondContact O-N 3.13Å; L846-A848 VanDerWaalsContact C-N 3.35Å; L846-A848 PolarHBondContact O-N 3.15Å; A848-V850 VanDerWaalsContact C-N 3.28Å; A848-V850 PolarHBondContact O-N 3.43Å; A848-E851 PolarHBondContact O-N 3.47Å; A848-K852 VanDerWaalsContact O-CB 3.24Å; A848-K852 WeakPolarHBondContact O-CB 3.21Å; A848-K852 PolarHBondContact O-N 3.31Å |
| 849 | E | 80.2 | Confident | 76.8 | Confident | 52 Ų | 52 | 68.1 Ų | 68.1 | 24% | 0.243 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 177.8 | -78.4 | -65.5 | 107.8 | 0 | 0 | 110.8 | E845 L846 R853 | E845-E849 VanDerWaalsContact O-CB 3.3Å; E845-E849 WeakPolarHBondContact O-CB 3.24Å; E845-E849 WeakPolarHBondContact O-CG 3.31Å; E845-E849 PolarHBondContact O-N 2.9Å; L846-E849 PolarHBondContact O-N 3.13Å; E849-R853 VanDerWaalsContact C-NH1 3.33Å; E849-R853 VanDerWaalsContact CB-NH1 3.26Å; E849-R853 VanDerWaalsContact CD-NH1 3.26Å; E849-R853 WeakPolarHBondContact O-CD 3.39Å; E849-R853 PolarHBondContact O-NH1 3.33Å; E849-R853 IonicContact OE1-NH1 3.73Å; E849-R853 IonicContact OE2-CZ 2.68Å; E849-R853 IonicContact OE2-NH1 2.85Å; E849-R853 PolarHBondContact OE2-NH1 3.14Å; E849-R853 IonicContact OE2-NH2 3.23Å; E849-R853 PolarHBondContact OE2-NH2 3.13Å |
| 850 | V | 81.7 | Confident | 77.7 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -79.2 | -35.8 | 176.6 | 178 | 0 | 0 | 0 | 0 | 112.3 | L846 V847 A848 R853 N854 R855 L859 | L846-V850 HydrophobicContact CD1-CG2 4.24Å; L846-V850 HydrophobicContact CG-CG2 4.47Å; L846-V850 WeakPolarHBondContact O-CB 3.43Å; L846-V850 VanDerWaalsContact O-CG2 3.22Å; L846-V850 WeakPolarHBondContact O-CG2 3.35Å; L846-V850 PolarHBondContact O-N 3.08Å; V847-V850 PolarHBondContact O-N 3.11Å; A848-V850 VanDerWaalsContact C-N 3.28Å; A848-V850 PolarHBondContact O-N 3.43Å; V850-R853 PolarHBondContact O-N 3.45Å; V850-N854 PolarHBondContact O-N 3.26Å; V850-R855 HydrophobicContact CG1-CB 3.85Å; V850-R855 WeakPolarHBondContact CG1-O 3.42Å; V850-R855 PolarHBondContact O-N 2.95Å; V850-L859 HydrophobicContact CB-CD1 4.03Å; V850-L859 HydrophobicContact CB-CG 4.43Å; V850-L859 HydrophobicContact CG1-CD1 4.17Å; V850-L859 HydrophobicContact CG1-CG 4.14Å; V850-L859 HydrophobicContact CG2-CD1 4.22Å; V850-L859 HydrophobicContact CG2-CD2 4.35Å; V850-L859 HydrophobicContact CG2-CG 4.41Å |
| 851 | E | 77.5 | Confident | 78.3 | Confident | 77 Ų | 77 | 65.2 Ų | 65.2 | 36% | 0.36 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 174.9 | -168.4 | 165.7 | -162 | 0 | 0 | 110 | V847 A848 R853 N854 L856 K882 | V847-E851 WeakPolarHBondContact O-CB 3.46Å; V847-E851 PolarHBondContact O-N 2.9Å; A848-E851 PolarHBondContact O-N 3.47Å; E851-R853 PolarHBondContact O-N 2.78Å; E851-N854 WeakPolarHBondContact O-CA 3.33Å; E851-N854 PolarHBondContact O-N 3.08Å; E851-L856 HydrophobicContact CB-CD1 3.41Å; E851-L856 VanDerWaalsContact CB-CD1 3.41Å; E851-L856 HydrophobicContact CG-CD1 3.74Å; E851-K882 IonicContact OE1-NZ 3.01Å; E851-K882 PolarHBondContact OE1-NZ 3.32Å; E851-K882 IonicContact OE2-NZ 3.6Å; E851-K882 PolarHBondContact OE2-NZ 3.08Å |
| 852 | K | 77.4 | Confident | 78.6 | Confident | 161 Ų | 161 | 66.4 Ų | 66.4 | 70% | 0.7 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.4 | -30.2 | 178.2 | -170.8 | 178.3 | 179.6 | -175.3 | 0 | 113.1 | A848 | A848-K852 VanDerWaalsContact O-CB 3.24Å; A848-K852 WeakPolarHBondContact O-CB 3.21Å; A848-K852 PolarHBondContact O-N 3.31Å |
| 853 | R | 78.9 | Confident | 79 | Confident | 61 Ų | 61 | 62.9 Ų | 62.9 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 8.6 | 172.9 | -71.8 | 98.2 | 170 | 174.7 | 7.4 | 113.6 | G818 D822 E849 V850 E851 R855 | G818-R853 VanDerWaalsContact CA-CZ 3.49Å; G818-R853 VanDerWaalsContact CA-NH2 3.28Å; D822-R853 IonicContact OD1-NE 3.53Å; D822-R853 PolarHBondContact OD1-NE 2.94Å; D822-R853 IonicContact OD1-NH2 3.84Å; D822-R853 IonicContact OD2-NH2 3.15Å; E849-R853 VanDerWaalsContact C-NH1 3.33Å; E849-R853 VanDerWaalsContact CB-NH1 3.26Å; E849-R853 VanDerWaalsContact CD-NH1 3.26Å; E849-R853 WeakPolarHBondContact O-CD 3.39Å; E849-R853 PolarHBondContact O-NH1 3.33Å; E849-R853 IonicContact OE1-NH1 3.73Å; E849-R853 IonicContact OE2-CZ 2.68Å; E849-R853 IonicContact OE2-NH1 2.85Å; E849-R853 PolarHBondContact OE2-NH1 3.14Å; E849-R853 IonicContact OE2-NH2 3.23Å; E849-R853 PolarHBondContact OE2-NH2 3.13Å; V850-R853 PolarHBondContact O-N 3.45Å; E851-R853 PolarHBondContact O-N 2.78Å; R853-R855 HydrophobicContact CB-CG 4.42Å; R853-R855 WeakPolarHBondContact O-CG 3.44Å; R853-R855 PolarHBondContact O-N 3.16Å |
| 854 | N | 76 | Confident | 79.3 | Confident | 153 Ų | 153 | 66.7 Ų | 66.7 | 82% | 0.818 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 30.1 | -177.2 | -68.6 | -47.4 | 0 | 0 | 0 | 114.6 | V850 E851 | V850-N854 PolarHBondContact O-N 3.26Å; E851-N854 WeakPolarHBondContact O-CA 3.33Å; E851-N854 PolarHBondContact O-N 3.08Å |
| 855 | R | 78 | Confident | 79.5 | Confident | 137 Ų | 137 | 64.9 Ų | 64.9 | 52% | 0.517 | 32% | 0.318 | S | S | . | . | trans | -109.8 | 21.4 | -177.8 | -64.5 | -65.8 | -177 | 156.2 | 0.4 | 113 | E827 V850 R853 K857 L858 | E827-R855 IonicContact OE1-NH1 2.66Å; V850-R855 HydrophobicContact CG1-CB 3.85Å; V850-R855 WeakPolarHBondContact CG1-O 3.42Å; V850-R855 PolarHBondContact O-N 2.95Å; R853-R855 HydrophobicContact CB-CG 4.42Å; R853-R855 WeakPolarHBondContact O-CG 3.44Å; R853-R855 PolarHBondContact O-N 3.16Å; R855-K857 PolarHBondContact O-N 3.46Å; R855-L858 WeakPolarHBondContact O-CB 3.41Å; R855-L858 PolarHBondContact O-N 3.16Å | ||
| 856 | L | 77.9 | Confident | 79.5 | Confident | 26 Ų | 26 | 63.3 Ų | 63.3 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -52.1 | -30.9 | -172.6 | -149.2 | 96.3 | 0 | 0 | 0 | 114.1 | V847 E851 L858 L859 I883 | V847-L856 HydrophobicContact CG1-CD1 3.91Å; E851-L856 HydrophobicContact CB-CD1 3.41Å; E851-L856 VanDerWaalsContact CB-CD1 3.41Å; E851-L856 HydrophobicContact CG-CD1 3.74Å; L856-L858 PolarHBondContact O-N 3.27Å; L856-L859 PolarHBondContact O-N 2.81Å; L856-L859 VanDerWaalsContact O-N 3.14Å; L856-I883 HydrophobicContact CD2-CD1 3.88Å; L856-I883 HydrophobicContact CD2-CG1 3.65Å |
| 857 | K | 77 | Confident | 79.4 | Confident | 167 Ų | 167 | 65.5 Ų | 65.5 | 73% | 0.726 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -61.7 | -24.5 | 175.7 | -67.4 | -179.1 | -179.9 | 179.6 | 0 | 114 | R855 L859 L860 | R855-K857 PolarHBondContact O-N 3.46Å; K857-L859 PolarHBondContact O-N 3.34Å; K857-L860 WeakPolarHBondContact O-CB 3.45Å; K857-L860 PolarHBondContact O-N 2.83Å; K857-L860 VanDerWaalsContact O-N 3.16Å |
| 858 | L | 80.5 | Confident | 79.3 | Confident | 31 Ų | 31 | 73.4 Ų | 73.4 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -58.3 | -30.1 | 174.9 | -175.1 | 69.8 | 0 | 0 | 0 | 111.4 | E827 I830 R855 L856 | E827-L858 HydrophobicContact CB-CD1 4.47Å; E827-L858 HydrophobicContact CG-CD1 4.45Å; I830-L858 HydrophobicContact CG2-CD2 4.42Å; R855-L858 WeakPolarHBondContact O-CB 3.41Å; R855-L858 PolarHBondContact O-N 3.16Å; L856-L858 PolarHBondContact O-N 3.27Å |
| 859 | L | 83.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -86.8 | -10.8 | -178.2 | -58.4 | 179.3 | 0 | 0 | 0 | 113.5 | M834 L846 V847 V850 L856 K857 W862 L863 | M834-L859 HydrophobicContact CE-CD2 3.69Å; M834-L859 HydrophobicContact SD-CD2 4.31Å; L846-L859 HydrophobicContact CD2-CD2 3.95Å; L846-L859 HydrophobicContact CG-CD2 4.3Å; V847-L859 HydrophobicContact CB-CD1 4.43Å; V847-L859 HydrophobicContact CG2-CD1 3.87Å; V850-L859 HydrophobicContact CB-CD1 4.03Å; V850-L859 HydrophobicContact CB-CG 4.43Å; V850-L859 HydrophobicContact CG1-CD1 4.17Å; V850-L859 HydrophobicContact CG1-CG 4.14Å; V850-L859 HydrophobicContact CG2-CD1 4.22Å; V850-L859 HydrophobicContact CG2-CD2 4.35Å; V850-L859 HydrophobicContact CG2-CG 4.41Å; L856-L859 PolarHBondContact O-N 2.81Å; L856-L859 VanDerWaalsContact O-N 3.14Å; K857-L859 PolarHBondContact O-N 3.34Å; L859-W862 CarbonylContact O-C 3.59Å; L859-W862 WeakPolarHBondContact O-CA 3.19Å; L859-W862 WeakPolarHBondContact O-CB 3.34Å; L859-W862 PolarHBondContact O-N 3.29Å; L859-L863 HydrophobicContact CB-CD1 4.09Å; L859-L863 HydrophobicContact CB-CG 4.18Å; L859-L863 WeakPolarHBondContact O-CG 3.47Å; L859-L863 PolarHBondContact O-N 3.06Å |
| 860 | L | 80.2 | Confident | 79.1 | Confident | 45 Ų | 45 | 76.9 Ų | 76.9 | 24% | 0.236 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -54.1 | -50.2 | -172.9 | 175.9 | 66.9 | 0 | 0 | 0 | 113.3 | K857 W862 L863 E864 I883 | K857-L860 WeakPolarHBondContact O-CB 3.45Å; K857-L860 PolarHBondContact O-N 2.83Å; K857-L860 VanDerWaalsContact O-N 3.16Å; L860-W862 PolarHBondContact O-N 3.33Å; L860-L863 PolarHBondContact O-N 3.38Å; L860-E864 HydrophobicContact CD1-CG 4.06Å; L860-E864 WeakPolarHBondContact O-CG 3.47Å; L860-E864 PolarHBondContact O-N 3.27Å; L860-I883 HydrophobicContact CD1-CG2 4.15Å |
| 861 | P | 80.7 | Confident | 78.8 | Confident | 93 Ų | 93 | 77.7 Ų | 77.7 | 60% | 0.604 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.2 | -31.6 | 178.1 | -20.1 | 32.9 | 0 | 0 | 0 | 112.6 | S865 | P861-S865 PolarHBondContact O-N 3.27Å |
| 862 | W | 81.6 | Confident | 78.8 | Confident | 55 Ų | 55 | 78 Ų | 78 | 21% | 0.208 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -75.9 | -42.9 | -179.9 | -179.4 | 80.8 | 0 | 0 | 0 | 111.9 | M834 F841 T843 L846 L859 L860 S865 R866 | M834-W862 HydrophobicContact CE-CB 4.35Å; M834-W862 HydrophobicContact CE-CD2 4.09Å; M834-W862 HydrophobicContact CE-CG 3.92Å; F841-W862 HydrophobicContact CE2-CH2 4.17Å; F841-W862 AromaticContact CE2-CZ2 3.98Å; F841-W862 HydrophobicContact CE2-CZ2 3.98Å; F841-W862 HydrophobicContact CZ-CH2 4.41Å; F841-W862 AromaticContact CZ-CZ2 3.76Å; F841-W862 HydrophobicContact CZ-CZ2 3.76Å; T843-W862 HydrophobicContact CG2-CH2 3.59Å; T843-W862 HydrophobicContact CG2-CZ3 3.69Å; L846-W862 HydrophobicContact CD2-CH2 4.42Å; L846-W862 HydrophobicContact CD2-CZ3 4.44Å; L859-W862 CarbonylContact O-C 3.59Å; L859-W862 WeakPolarHBondContact O-CA 3.19Å; L859-W862 WeakPolarHBondContact O-CB 3.34Å; L859-W862 PolarHBondContact O-N 3.29Å; L860-W862 PolarHBondContact O-N 3.33Å; W862-S865 WeakPolarHBondContact O-CB 3.47Å; W862-S865 PolarHBondContact O-N 2.82Å; W862-R866 HydrophobicContact CD2-CG 4.45Å; W862-R866 HydrophobicContact CZ2-CG 4.3Å; W862-R866 WeakPolarHBondContact O-CG 3.3Å; W862-R866 PolarHBondContact O-N 3.14Å |
| 863 | L | 81.5 | Confident | 78.8 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66 | -41.1 | 177.2 | -70 | 172.4 | 0 | 0 | 0 | 112 | L859 L860 S865 R866 V867 T876 A879 I883 | L859-L863 HydrophobicContact CB-CD1 4.09Å; L859-L863 HydrophobicContact CB-CG 4.18Å; L859-L863 WeakPolarHBondContact O-CG 3.47Å; L859-L863 PolarHBondContact O-N 3.06Å; L860-L863 PolarHBondContact O-N 3.38Å; L863-S865 VanDerWaalsContact C-N 3.35Å; L863-R866 PolarHBondContact O-N 2.93Å; L863-V867 PolarHBondContact O-N 3.14Å; L863-T876 HydrophobicContact CD2-CG2 3.98Å; L863-A879 HydrophobicContact CD1-CB 3.99Å; L863-I883 HydrophobicContact CD1-CD1 3.81Å |
| 864 | E | 81.7 | Confident | 78.7 | Confident | 88 Ų | 88 | 74.5 Ų | 74.5 | 41% | 0.411 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 175.8 | -72.2 | -177.7 | 158 | 0 | 0 | 111.7 | L860 R866 V867 H868 L880 | L860-E864 HydrophobicContact CD1-CG 4.06Å; L860-E864 WeakPolarHBondContact O-CG 3.47Å; L860-E864 PolarHBondContact O-N 3.27Å; E864-R866 VanDerWaalsContact C-N 3.32Å; E864-R866 PolarHBondContact O-N 2.9Å; E864-V867 PolarHBondContact O-N 3.05Å; E864-H868 WeakPolarHBondContact O-CB 3.25Å; E864-H868 PolarHBondContact O-N 3.42Å; E864-L880 HydrophobicContact CG-CD1 4.46Å |
| 865 | S | 80.1 | Confident | 78.6 | Confident | 55 Ų | 55 | 67.6 Ų | 67.6 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.1 | -45 | 171.7 | -166.1 | 0 | 0 | 0 | 0 | 111.2 | P861 W862 L863 V867 H868 E869 | P861-S865 PolarHBondContact O-N 3.27Å; W862-S865 WeakPolarHBondContact O-CB 3.47Å; W862-S865 PolarHBondContact O-N 2.82Å; L863-S865 VanDerWaalsContact C-N 3.35Å; S865-V867 PolarHBondContact O-N 3.47Å; S865-H868 PolarHBondContact O-N 2.95Å; S865-E869 WeakPolarHBondContact O-CB 3.29Å; S865-E869 WeakPolarHBondContact O-CG 3.16Å; S865-E869 PolarHBondContact O-N 3.03Å; S865-E869 PolarHBondContact OG-OE1 3.46Å |
| 866 | R | 77.9 | Confident | 78.7 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.5 | -38.6 | -179.7 | -71.1 | -73.7 | -72.1 | 165.2 | -3.8 | 113.2 | W862 L863 E864 E869 G870 S871 E873 T876 | W862-R866 HydrophobicContact CD2-CG 4.45Å; W862-R866 HydrophobicContact CZ2-CG 4.3Å; W862-R866 WeakPolarHBondContact O-CG 3.3Å; W862-R866 PolarHBondContact O-N 3.14Å; L863-R866 PolarHBondContact O-N 2.93Å; E864-R866 VanDerWaalsContact C-N 3.32Å; E864-R866 PolarHBondContact O-N 2.9Å; R866-E869 PolarHBondContact O-N 3.3Å; R866-G870 PolarHBondContact O-N 3.48Å; R866-S871 WeakPolarHBondContact O-CB 3.4Å; R866-S871 PolarHBondContact O-N 3.25Å; R866-E873 IonicContact NH2-OE2 3.17Å; R866-T876 HydrophobicContact CB-CG2 4.19Å |
| 867 | V | 77.2 | Confident | 78.8 | Confident | 47 Ų | 47 | 60.3 Ų | 60.3 | 29% | 0.285 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -72 | -37.7 | 175.3 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | L863 E864 S865 E869 G870 T876 L880 | L863-V867 PolarHBondContact O-N 3.14Å; E864-V867 PolarHBondContact O-N 3.05Å; S865-V867 PolarHBondContact O-N 3.47Å; V867-E869 VanDerWaalsContact C-N 3.26Å; V867-E869 PolarHBondContact O-N 3.31Å; V867-G870 PolarHBondContact O-N 3.02Å; V867-T876 HydrophobicContact CG2-CG2 3.67Å; V867-L880 HydrophobicContact CG2-CD2 3.93Å |
| 868 | H | 77.9 | Confident | 79 | Confident | 176 Ų | 176 | 53.5 Ų | 53.5 | 82% | 0.815 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65 | -31.6 | 174.1 | -165.9 | 68.4 | 0 | 0 | 0 | 112.5 | E864 S865 G870 | E864-H868 WeakPolarHBondContact O-CB 3.25Å; E864-H868 PolarHBondContact O-N 3.42Å; S865-H868 PolarHBondContact O-N 2.95Å; H868-G870 PolarHBondContact O-N 3.04Å |
| 869 | E | 78.9 | Confident | 79 | Confident | 120 Ų | 120 | 52.2 Ų | 52.2 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -5 | 171.1 | -72.5 | 164.2 | -156.6 | 0 | 0 | 113.6 | S865 R866 V867 | S865-E869 WeakPolarHBondContact O-CB 3.29Å; S865-E869 WeakPolarHBondContact O-CG 3.16Å; S865-E869 PolarHBondContact O-N 3.03Å; S865-E869 PolarHBondContact OG-OE1 3.46Å; R866-E869 PolarHBondContact O-N 3.3Å; V867-E869 VanDerWaalsContact C-N 3.26Å; V867-E869 PolarHBondContact O-N 3.31Å |
| 870 | G | 74.7 | Confident | 78.9 | Confident | 53 Ų | 53 | 52.4 Ų | 52.4 | 55% | 0.546 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 24.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R866 V867 H868 V872 | R866-G870 PolarHBondContact O-N 3.48Å; V867-G870 PolarHBondContact O-N 3.02Å; H868-G870 PolarHBondContact O-N 3.04Å; G870-V872 PolarHBondContact O-N 3.15Å |
| 871 | S | 75.1 | Confident | 78.9 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | trans | -57.7 | 131.5 | 172.8 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | R866 E873 H877 | R866-S871 WeakPolarHBondContact O-CB 3.4Å; R866-S871 PolarHBondContact O-N 3.25Å; S871-E873 PolarHBondContact OG-N 3.47Å; S871-H877 PolarHBondContact O-NE2 3.29Å | ||
| 872 | V | 78.6 | Confident | 78.9 | Confident | 84 Ų | 84 | 47.9 Ų | 47.9 | 51% | 0.509 | 26% | 0.258 | S | S | . | . | trans | -105.4 | 7.5 | 174.4 | -65.2 | 0 | 0 | 0 | 0 | 112.4 | G870 P874 Y900 | G870-V872 PolarHBondContact O-N 3.15Å; V872-P874 WeakPolarHBondContact O-CD 3.43Å; V872-Y900 HydrophobicContact CB-CD1 4.22Å; V872-Y900 HydrophobicContact CB-CE1 4.22Å; V872-Y900 HydrophobicContact CB-CG 4.45Å; V872-Y900 HydrophobicContact CG1-CD1 4.46Å; V872-Y900 HydrophobicContact CG1-CD2 4.5Å; V872-Y900 HydrophobicContact CG1-CE1 4.04Å; V872-Y900 HydrophobicContact CG1-CE2 4.07Å | ||
| 873 | E | 76.6 | Confident | 78.8 | Confident | 76 Ų | 76 | 45.8 Ų | 45.8 | 36% | 0.355 | 25% | 0.251 | S | S | . | . | trans | -66.3 | 123.3 | -176.3 | -79 | 179.2 | 170.7 | 0 | 0 | 111.4 | T843 R866 S871 A875 T876 H877 | T843-E873 PolarHBondContact OG1-OE2 3.5Å; R866-E873 IonicContact NH2-OE2 3.17Å; S871-E873 PolarHBondContact OG-N 3.47Å; E873-A875 PolarHBondContact O-N 3.3Å; E873-A875 VanDerWaalsContact O-N 3.15Å; E873-T876 WeakPolarHBondContact O-CB 3.35Å; E873-T876 PolarHBondContact O-N 3.48Å; E873-H877 PolarHBondContact O-CD2 3.01Å; E873-H877 VanDerWaalsContact O-CD2 3.23Å; E873-H877 PolarHBondContact O-N 3.24Å | ||
| 874 | P | 77 | Confident | 78.8 | Confident | 72 Ų | 72 | 48 Ų | 48 | 47% | 0.468 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55.1 | -35.2 | 177.2 | -26.7 | 34.8 | 0 | 0 | 0 | 112.7 | V872 T876 H877 N878 Y900 | V872-P874 WeakPolarHBondContact O-CD 3.43Å; P874-T876 PolarHBondContact O-N 3.49Å; P874-H877 PolarHBondContact O-N 3.21Å; P874-N878 WeakPolarHBondContact O-CB 3.12Å; P874-N878 PolarHBondContact O-N 2.92Å; P874-N878 PolarHBondContact O-ND2 3.32Å; P874-N878 VanDerWaalsContact O-ND2 3.16Å; P874-N878 PolarHBondContact O-OD1 3.07Å; P874-Y900 WeakPolarHBondContact CA-O 3.24Å |
| 875 | A | 73.5 | Confident | 78.6 | Confident | 9 Ų | 9 | 44.8 Ų | 44.8 | 7% | 0.074 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -52.6 | -51.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | D844 E873 H877 N878 A879 | D844-A875 VanDerWaalsContact CG-CB 3.42Å; D844-A875 WeakPolarHBondContact OD1-CB 3.25Å; E873-A875 PolarHBondContact O-N 3.3Å; E873-A875 VanDerWaalsContact O-N 3.15Å; A875-H877 PolarHBondContact O-N 3.47Å; A875-N878 PolarHBondContact O-N 3.35Å; A875-A879 WeakPolarHBondContact O-CB 3.39Å; A875-A879 PolarHBondContact O-N 2.98Å |
| 876 | T | 79.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63 | -45.5 | -179.7 | -56.1 | 0 | 0 | 0 | 0 | 109.8 | L863 R866 V867 E873 P874 L880 | L863-T876 HydrophobicContact CD2-CG2 3.98Å; R866-T876 HydrophobicContact CB-CG2 4.19Å; V867-T876 HydrophobicContact CG2-CG2 3.67Å; E873-T876 WeakPolarHBondContact O-CB 3.35Å; E873-T876 PolarHBondContact O-N 3.48Å; P874-T876 PolarHBondContact O-N 3.49Å; T876-L880 VanDerWaalsContact O-CB 3.29Å; T876-L880 WeakPolarHBondContact O-CB 3.33Å; T876-L880 PolarHBondContact O-N 2.9Å |
| 877 | H | 80.8 | Confident | 78.4 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.6 | -33.6 | -179.6 | -67.5 | -71.3 | 0 | 0 | 0 | 113.8 | S871 E873 P874 A875 L880 A881 N898 Y900 | S871-H877 PolarHBondContact O-NE2 3.29Å; E873-H877 PolarHBondContact O-CD2 3.01Å; E873-H877 VanDerWaalsContact O-CD2 3.23Å; E873-H877 PolarHBondContact O-N 3.24Å; P874-H877 PolarHBondContact O-N 3.21Å; A875-H877 PolarHBondContact O-N 3.47Å; H877-L880 PolarHBondContact O-N 3.03Å; H877-A881 WeakPolarHBondContact O-CA 3.42Å; H877-A881 WeakPolarHBondContact O-CB 3.27Å; H877-A881 PolarHBondContact O-N 2.92Å; H877-N898 PolarHBondContact ND1-ND2 2.94Å; H877-Y900 WeakPolarHBondContact CD2-CB 3Å; H877-Y900 AromaticContact NE2-CD2 3.71Å |
| 878 | N | 81.8 | Confident | 78.2 | Confident | 24 Ų | 24 | 51.3 Ų | 51.3 | 13% | 0.128 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.6 | -45.2 | 176 | -69.8 | -20.3 | 0 | 0 | 0 | 110 | P874 A875 L880 A881 K882 Y901 N902 | P874-N878 WeakPolarHBondContact O-CB 3.12Å; P874-N878 PolarHBondContact O-N 2.92Å; P874-N878 PolarHBondContact O-ND2 3.32Å; P874-N878 VanDerWaalsContact O-ND2 3.16Å; P874-N878 PolarHBondContact O-OD1 3.07Å; A875-N878 PolarHBondContact O-N 3.35Å; N878-L880 VanDerWaalsContact C-N 3.34Å; N878-A881 PolarHBondContact O-N 3.3Å; N878-K882 WeakPolarHBondContact O-CB 3.33Å; N878-K882 VanDerWaalsContact O-CG 3.28Å; N878-K882 WeakPolarHBondContact O-CG 3.48Å; N878-K882 PolarHBondContact O-N 3.2Å; N878-Y901 WeakPolarHBondContact OD1-CA 3.48Å; N878-N902 PolarHBondContact OD1-N 3.43Å |
| 879 | A | 80.3 | Confident | 77.9 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.033 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V847 L863 A875 K882 I883 | V847-A879 HydrophobicContact CG1-CB 4.08Å; V847-A879 HydrophobicContact CG2-CB 4.35Å; L863-A879 HydrophobicContact CD1-CB 3.99Å; A875-A879 WeakPolarHBondContact O-CB 3.39Å; A875-A879 PolarHBondContact O-N 2.98Å; A879-K882 PolarHBondContact O-N 3.49Å; A879-I883 WeakPolarHBondContact O-CD1 3.22Å; A879-I883 WeakPolarHBondContact O-CG1 3.37Å; A879-I883 PolarHBondContact O-N 2.98Å |
| 880 | L | 81.8 | Confident | 77.8 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 175.8 | -166.6 | 68 | 0 | 0 | 0 | 112.4 | E864 V867 T876 H877 N878 I883 Y884 F894 | E864-L880 HydrophobicContact CG-CD1 4.46Å; V867-L880 HydrophobicContact CG2-CD2 3.93Å; T876-L880 VanDerWaalsContact O-CB 3.29Å; T876-L880 WeakPolarHBondContact O-CB 3.33Å; T876-L880 PolarHBondContact O-N 2.9Å; H877-L880 PolarHBondContact O-N 3.03Å; N878-L880 VanDerWaalsContact C-N 3.34Å; L880-I883 PolarHBondContact O-N 2.89Å; L880-Y884 HydrophobicContact CD1-CD1 4.4Å; L880-Y884 HydrophobicContact CD1-CE1 3.85Å; L880-Y884 HydrophobicContact CD1-CE2 4.17Å; L880-Y884 HydrophobicContact CD2-CE2 3.85Å; L880-Y884 HydrophobicContact CG-CD2 4.12Å; L880-Y884 HydrophobicContact CG-CE1 4.29Å; L880-Y884 HydrophobicContact CG-CE2 3.76Å; L880-Y884 WeakPolarHBondContact O-CB 3.24Å; L880-Y884 PolarHBondContact O-N 3.41Å; L880-F894 HydrophobicContact CD2-CE2 4.46Å |
| 881 | A | 79.5 | Confident | 77.8 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | H877 N878 I883 Y884 I885 F894 V906 | H877-A881 WeakPolarHBondContact O-CA 3.42Å; H877-A881 WeakPolarHBondContact O-CB 3.27Å; H877-A881 PolarHBondContact O-N 2.92Å; N878-A881 PolarHBondContact O-N 3.3Å; A881-I883 VanDerWaalsContact C-N 3.33Å; A881-I883 PolarHBondContact O-N 3.37Å; A881-Y884 PolarHBondContact O-N 3.38Å; A881-I885 WeakPolarHBondContact O-CB 3.33Å; A881-I885 WeakPolarHBondContact O-CD1 3.38Å; A881-I885 WeakPolarHBondContact O-CG1 3.41Å; A881-I885 PolarHBondContact O-N 3.41Å; A881-F894 HydrophobicContact CB-CD1 4.27Å; A881-F894 HydrophobicContact CB-CE1 3.52Å; A881-F894 HydrophobicContact CB-CZ 4.07Å; A881-V906 HydrophobicContact CB-CG1 4.48Å; A881-V906 HydrophobicContact CB-CG2 4.19Å |
| 882 | K | 80.9 | Confident | 77.6 | Confident | 43 Ų | 43 | 49.4 Ų | 49.4 | 19% | 0.187 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.7 | -47.6 | 173.9 | -73 | 174.1 | 174 | -171.4 | 0 | 110.7 | E851 N878 A879 I885 D886 Y909 | E851-K882 IonicContact OE1-NZ 3.01Å; E851-K882 PolarHBondContact OE1-NZ 3.32Å; E851-K882 IonicContact OE2-NZ 3.6Å; E851-K882 PolarHBondContact OE2-NZ 3.08Å; N878-K882 WeakPolarHBondContact O-CB 3.33Å; N878-K882 VanDerWaalsContact O-CG 3.28Å; N878-K882 WeakPolarHBondContact O-CG 3.48Å; N878-K882 PolarHBondContact O-N 3.2Å; A879-K882 PolarHBondContact O-N 3.49Å; K882-I885 PolarHBondContact O-N 3.45Å; K882-D886 WeakPolarHBondContact O-CB 3.46Å; K882-D886 PolarHBondContact O-N 3.39Å; K882-Y909 HydrophobicContact CB-CE1 4.34Å; K882-Y909 HydrophobicContact CG-CD1 4.38Å; K882-Y909 HydrophobicContact CG-CE1 4.28Å |
| 883 | I | 79.9 | Confident | 77.4 | Confident | 10 Ų | 10 | 53.2 Ų | 53.2 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 178 | -66.3 | 164.3 | 0 | 0 | 0 | 111.6 | L856 L860 L863 A879 L880 A881 D886 L887 | L856-I883 HydrophobicContact CD2-CD1 3.88Å; L856-I883 HydrophobicContact CD2-CG1 3.65Å; L860-I883 HydrophobicContact CD1-CG2 4.15Å; L863-I883 HydrophobicContact CD1-CD1 3.81Å; A879-I883 WeakPolarHBondContact O-CD1 3.22Å; A879-I883 WeakPolarHBondContact O-CG1 3.37Å; A879-I883 PolarHBondContact O-N 2.98Å; L880-I883 PolarHBondContact O-N 2.89Å; A881-I883 VanDerWaalsContact C-N 3.33Å; A881-I883 PolarHBondContact O-N 3.37Å; I883-D886 PolarHBondContact O-N 3.43Å; I883-L887 HydrophobicContact CG2-CD1 3.62Å; I883-L887 HydrophobicContact CG2-CG 4.25Å; I883-L887 WeakPolarHBondContact O-CB 3.3Å; I883-L887 VanDerWaalsContact O-CG 3.25Å; I883-L887 WeakPolarHBondContact O-CG 3.21Å; I883-L887 PolarHBondContact O-N 3.26Å |
| 884 | Y | 80 | Confident | 77.6 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 18% | 0.18 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.1 | -33.7 | 179.5 | -74 | -10.1 | 0 | 0 | 0 | 113.6 | L880 A881 D886 L887 N888 N889 F894 | L880-Y884 HydrophobicContact CD1-CD1 4.4Å; L880-Y884 HydrophobicContact CD1-CE1 3.85Å; L880-Y884 HydrophobicContact CD1-CE2 4.17Å; L880-Y884 HydrophobicContact CD2-CE2 3.85Å; L880-Y884 HydrophobicContact CG-CD2 4.12Å; L880-Y884 HydrophobicContact CG-CE1 4.29Å; L880-Y884 HydrophobicContact CG-CE2 3.76Å; L880-Y884 WeakPolarHBondContact O-CB 3.24Å; L880-Y884 PolarHBondContact O-N 3.41Å; A881-Y884 PolarHBondContact O-N 3.38Å; Y884-D886 VanDerWaalsContact C-N 3.32Å; Y884-L887 PolarHBondContact O-N 3.34Å; Y884-N888 WeakPolarHBondContact O-CA 3.41Å; Y884-N888 PolarHBondContact O-N 2.98Å; Y884-N889 HydrophobicContact CD1-CB 4.24Å; Y884-N889 HydrophobicContact CG-CB 4.37Å; Y884-N889 PolarHBondContact O-N 3.37Å; Y884-F894 HydrophobicContact CD2-CD2 4.05Å; Y884-F894 HydrophobicContact CD2-CE2 4.17Å; Y884-F894 HydrophobicContact CE2-CD2 4.4Å; Y884-F894 HydrophobicContact CE2-CE2 4.36Å |
| 885 | I | 77.7 | Confident | 77.6 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 11% | 0.108 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.5 | -38.3 | 170.4 | -68.7 | 163.3 | 0 | 0 | 0 | 110.1 | A881 K882 N888 P891 V906 Y909 | A881-I885 WeakPolarHBondContact O-CB 3.33Å; A881-I885 WeakPolarHBondContact O-CD1 3.38Å; A881-I885 WeakPolarHBondContact O-CG1 3.41Å; A881-I885 PolarHBondContact O-N 3.41Å; K882-I885 PolarHBondContact O-N 3.45Å; I885-N888 PolarHBondContact O-N 3.17Å; I885-P891 HydrophobicContact CG1-CB 4.24Å; I885-V906 HydrophobicContact CD1-CG1 3.74Å; I885-Y909 HydrophobicContact CB-CE1 4.25Å; I885-Y909 HydrophobicContact CD1-CD1 4.14Å; I885-Y909 HydrophobicContact CG2-CD1 4.1Å; I885-Y909 HydrophobicContact CG2-CE1 3.88Å |
| 886 | D | 77.1 | Confident | 77.7 | Confident | 82 Ų | 82 | 56 Ų | 56 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.2 | -36.9 | 175.5 | -71.7 | -5.7 | 0 | 0 | 0 | 113.3 | K882 I883 Y884 N888 Y909 R913 | K882-D886 WeakPolarHBondContact O-CB 3.46Å; K882-D886 PolarHBondContact O-N 3.39Å; I883-D886 PolarHBondContact O-N 3.43Å; Y884-D886 VanDerWaalsContact C-N 3.32Å; D886-N888 VanDerWaalsContact C-N 3.33Å; D886-Y909 PolarHBondContact OD1-OH 3.42Å; D886-Y909 PolarHBondContact OD2-OH 3.16Å; D886-R913 IonicContact OD1-CZ 2.86Å; D886-R913 IonicContact OD1-NH1 3.56Å; D886-R913 PolarHBondContact OD1-NH1 3.4Å; D886-R913 IonicContact OD1-NH2 2.68Å; D886-R913 PolarHBondContact OD1-NH2 2.98Å |
| 887 | L | 78.4 | Confident | 77.4 | Confident | 98 Ų | 98 | 61.7 Ų | 61.7 | 51% | 0.513 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -2.7 | 178.4 | -65 | 174.3 | 0 | 0 | 0 | 113.2 | I883 Y884 N889 | I883-L887 HydrophobicContact CG2-CD1 3.62Å; I883-L887 HydrophobicContact CG2-CG 4.25Å; I883-L887 WeakPolarHBondContact O-CB 3.3Å; I883-L887 VanDerWaalsContact O-CG 3.25Å; I883-L887 WeakPolarHBondContact O-CG 3.21Å; I883-L887 PolarHBondContact O-N 3.26Å; Y884-L887 PolarHBondContact O-N 3.34Å; L887-N889 VanDerWaalsContact C-N 3.29Å; L887-N889 PolarHBondContact O-N 2.96Å |
| 888 | N | 72.1 | Confident | 77.1 | Confident | 127 Ų | 127 | 62.4 Ų | 62.4 | 68% | 0.679 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 44.5 | -171.8 | -164.8 | 26.9 | 0 | 0 | 0 | 113.8 | Y884 I885 D886 N890 | Y884-N888 WeakPolarHBondContact O-CA 3.41Å; Y884-N888 PolarHBondContact O-N 2.98Å; I885-N888 PolarHBondContact O-N 3.17Å; D886-N888 VanDerWaalsContact C-N 3.33Å; N888-N890 PolarHBondContact O-N 3.44Å |
| 889 | N | 72.5 | Confident | 76.8 | Confident | 80 Ų | 80 | 68 Ų | 68 | 43% | 0.428 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -96 | 84.4 | -178.2 | -170.8 | 15.2 | 0 | 0 | 0 | 111.1 | Y884 L887 | Y884-N889 HydrophobicContact CD1-CB 4.24Å; Y884-N889 HydrophobicContact CG-CB 4.37Å; Y884-N889 PolarHBondContact O-N 3.37Å; L887-N889 VanDerWaalsContact C-N 3.29Å; L887-N889 PolarHBondContact O-N 2.96Å |
| 890 | N | 75.4 | Confident | 76.7 | Confident | 120 Ų | 120 | 73.1 Ų | 73.1 | 64% | 0.642 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 47.4 | 57.3 | 177.5 | -69.1 | -48.3 | 0 | 0 | 0 | 116 | N888 F894 | N888-N890 PolarHBondContact O-N 3.44Å; N890-F894 PolarHBondContact O-N 2.72Å |
| 891 | P | 74.2 | Confident | 76.7 | Confident | 20 Ų | 20 | 73.3 Ų | 73.3 | 13% | 0.13 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.3 | -38.6 | -172.3 | 27 | -34.6 | 0 | 0 | 0 | 114.7 | I885 R893 F894 L895 L917 | I885-P891 HydrophobicContact CG1-CB 4.24Å; P891-R893 VanDerWaalsContact C-N 3.32Å; P891-R893 PolarHBondContact O-N 3.2Å; P891-F894 PolarHBondContact O-N 3.06Å; P891-L895 WeakPolarHBondContact O-CG 3.4Å; P891-L895 PolarHBondContact O-N 3.05Å; P891-L917 HydrophobicContact CB-CD1 4.33Å; P891-L917 HydrophobicContact CG-CD1 4.31Å |
| 892 | E | 72.6 | Confident | 76.7 | Confident | 108 Ų | 108 | 76.9 Ų | 76.9 | 51% | 0.505 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 180 | -75.8 | -175.5 | -178.2 | 0 | 0 | 112.7 | L895 R896 L917 | E892-L895 PolarHBondContact O-N 3.26Å; E892-R896 PolarHBondContact O-N 2.98Å; E892-L917 HydrophobicContact CB-CD2 4.35Å; E892-L917 HydrophobicContact CG-CD2 3.34Å |
| 893 | R | 73.9 | Confident | 76.6 | Confident | 164 Ų | 164 | 75.5 Ų | 75.5 | 62% | 0.619 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.7 | -43.9 | 178.6 | -171.9 | 177.7 | 177.5 | -166.5 | -7.1 | 110.4 | P891 L895 R896 E897 | P891-R893 VanDerWaalsContact C-N 3.32Å; P891-R893 PolarHBondContact O-N 3.2Å; R893-L895 VanDerWaalsContact C-N 3.35Å; R893-L895 PolarHBondContact O-N 3.12Å; R893-R896 PolarHBondContact O-N 3.05Å; R893-E897 HydrophobicContact CG-CG 4.08Å; R893-E897 WeakPolarHBondContact CG-OE1 3.47Å; R893-E897 WeakPolarHBondContact CG-OE2 3.48Å; R893-E897 IonicContact CZ-OE1 3.64Å; R893-E897 IonicContact CZ-OE2 2.72Å; R893-E897 IonicContact NE-OE1 3.67Å; R893-E897 PolarHBondContact NE-OE1 3.22Å; R893-E897 IonicContact NE-OE2 3.89Å; R893-E897 PolarHBondContact NE-OE2 3.31Å; R893-E897 IonicContact NH2-OE1 3.62Å; R893-E897 IonicContact NH2-OE2 2.72Å; R893-E897 PolarHBondContact NH2-OE2 3.14Å; R893-E897 VanDerWaalsContact O-CB 3.24Å; R893-E897 WeakPolarHBondContact O-CB 3.27Å; R893-E897 WeakPolarHBondContact O-CG 3.32Å; R893-E897 PolarHBondContact O-N 3.32Å |
| 894 | F | 80.1 | Confident | 76.4 | Confident | 33 Ų | 33 | 78 Ų | 78 | 15% | 0.145 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 175.2 | -173.4 | -84.3 | 0 | 0 | 0 | 111.7 | L880 A881 Y884 N890 P891 N898 Y901 | L880-F894 HydrophobicContact CD2-CE2 4.46Å; A881-F894 HydrophobicContact CB-CD1 4.27Å; A881-F894 HydrophobicContact CB-CE1 3.52Å; A881-F894 HydrophobicContact CB-CZ 4.07Å; Y884-F894 HydrophobicContact CD2-CD2 4.05Å; Y884-F894 HydrophobicContact CD2-CE2 4.17Å; Y884-F894 HydrophobicContact CE2-CD2 4.4Å; Y884-F894 HydrophobicContact CE2-CE2 4.36Å; N890-F894 PolarHBondContact O-N 2.72Å; P891-F894 PolarHBondContact O-N 3.06Å; F894-N898 HydrophobicContact CD1-CB 4.15Å; F894-N898 HydrophobicContact CD2-CB 4.36Å; F894-N898 HydrophobicContact CE1-CB 4.05Å; F894-N898 HydrophobicContact CE2-CB 4.32Å; F894-N898 WeakPolarHBondContact CE2-ND2 3.41Å; F894-N898 HydrophobicContact CG-CB 4.31Å; F894-N898 HydrophobicContact CZ-CB 4.19Å; F894-N898 WeakPolarHBondContact CZ-ND2 3.3Å; F894-N898 WeakPolarHBondContact O-CA 3.26Å; F894-N898 WeakPolarHBondContact O-CB 3.49Å; F894-N898 PolarHBondContact O-N 2.71Å; F894-Y901 HydrophobicContact CE1-CD1 4.28Å |
| 895 | L | 76.7 | Confident | 76.2 | Confident | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.016 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71.5 | -30.1 | -178 | -67.6 | 175.9 | 0 | 0 | 0 | 113.9 | P891 E892 R893 Y901 V906 L917 | P891-L895 WeakPolarHBondContact O-CG 3.4Å; P891-L895 PolarHBondContact O-N 3.05Å; E892-L895 PolarHBondContact O-N 3.26Å; R893-L895 VanDerWaalsContact C-N 3.35Å; R893-L895 PolarHBondContact O-N 3.12Å; L895-Y901 HydrophobicContact CB-CE1 4.45Å; L895-Y901 HydrophobicContact CD2-CD2 4.28Å; L895-Y901 HydrophobicContact CD2-CE1 3.95Å; L895-Y901 HydrophobicContact CD2-CE2 3.61Å; L895-Y901 VanDerWaalsContact CD2-CZ 3.42Å; L895-Y901 VanDerWaalsContact O-CE1 3.31Å; L895-Y901 WeakPolarHBondContact O-CE1 3.4Å; L895-Y901 PolarHBondContact O-OH 2.99Å; L895-V906 HydrophobicContact CD2-CG1 3.62Å; L895-L917 HydrophobicContact CD1-CB 3.98Å; L895-L917 HydrophobicContact CD1-CD1 4.46Å; L895-L917 HydrophobicContact CD1-CD2 4.21Å; L895-L917 HydrophobicContact CD1-CG 4.45Å |
| 896 | R | 75.4 | Confident | 76.3 | Confident | 180 Ų | 180 | 78.1 Ų | 78.1 | 68% | 0.679 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -84 | -40.4 | 175.1 | -70 | -173.6 | 179.6 | -165.4 | 1.3 | 113.2 | E892 R893 I920 | E892-R896 PolarHBondContact O-N 2.98Å; R893-R896 PolarHBondContact O-N 3.05Å; R896-I920 HydrophobicContact CG-CG2 3.88Å |
| 897 | E | 74.5 | Confident | 76.4 | Confident | 119 Ų | 119 | 74.2 Ų | 74.2 | 56% | 0.556 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -87.3 | -34.9 | -174.2 | -66 | -178.4 | -179.4 | 0 | 0 | 113.1 | R893 Q899 | R893-E897 HydrophobicContact CG-CG 4.08Å; R893-E897 WeakPolarHBondContact CG-OE1 3.47Å; R893-E897 WeakPolarHBondContact CG-OE2 3.48Å; R893-E897 IonicContact CZ-OE1 3.64Å; R893-E897 IonicContact CZ-OE2 2.72Å; R893-E897 IonicContact NE-OE1 3.67Å; R893-E897 PolarHBondContact NE-OE1 3.22Å; R893-E897 IonicContact NE-OE2 3.89Å; R893-E897 PolarHBondContact NE-OE2 3.31Å; R893-E897 IonicContact NH2-OE1 3.62Å; R893-E897 IonicContact NH2-OE2 2.72Å; R893-E897 PolarHBondContact NH2-OE2 3.14Å; R893-E897 VanDerWaalsContact O-CB 3.24Å; R893-E897 WeakPolarHBondContact O-CB 3.27Å; R893-E897 WeakPolarHBondContact O-CG 3.32Å; R893-E897 PolarHBondContact O-N 3.32Å; E897-Q899 PolarHBondContact O-N 2.83Å |
| 898 | N | 75.1 | Confident | 76.4 | Confident | 23 Ų | 23 | 76.5 Ų | 76.5 | 12% | 0.123 | 36% | 0.364 | C | S | . | . | trans | -78.8 | 120.8 | -176.3 | -167.9 | -29 | 0 | 0 | 0 | 111.2 | H877 F894 Y900 Y901 R924 | H877-N898 PolarHBondContact ND1-ND2 2.94Å; F894-N898 HydrophobicContact CD1-CB 4.15Å; F894-N898 HydrophobicContact CD2-CB 4.36Å; F894-N898 HydrophobicContact CE1-CB 4.05Å; F894-N898 HydrophobicContact CE2-CB 4.32Å; F894-N898 WeakPolarHBondContact CE2-ND2 3.41Å; F894-N898 HydrophobicContact CG-CB 4.31Å; F894-N898 HydrophobicContact CZ-CB 4.19Å; F894-N898 WeakPolarHBondContact CZ-ND2 3.3Å; F894-N898 WeakPolarHBondContact O-CA 3.26Å; F894-N898 WeakPolarHBondContact O-CB 3.49Å; F894-N898 PolarHBondContact O-N 2.71Å; N898-Y900 PolarHBondContact OD1-N 3.47Å; N898-Y901 HydrophobicContact CB-CD1 4.08Å; N898-Y901 HydrophobicContact CB-CE1 4.49Å; N898-Y901 VanDerWaalsContact O-CD1 3.32Å; N898-Y901 WeakPolarHBondContact O-CD1 3.44Å; N898-Y901 WeakPolarHBondContact O-CE1 3.39Å; N898-R924 PolarHBondContact O-NH1 3.37Å | ||
| 899 | Q | 74.2 | Confident | 76.7 | Confident | 141 Ų | 141 | 73.5 Ų | 73.5 | 66% | 0.659 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -88.1 | -14.2 | -177.4 | -60.9 | -175.4 | 5.1 | 0 | 0 | 113.8 | E897 R924 | E897-Q899 PolarHBondContact O-N 2.83Å; Q899-R924 PolarHBondContact O-NH2 2.97Å |
| 900 | Y | 79.5 | Confident | 77 | Confident | 113 Ų | 113 | 69.8 Ų | 69.8 | 44% | 0.443 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -102.8 | -7.1 | -164.8 | -54.1 | -61.8 | 0 | 0 | 0 | 114.7 | V872 P874 H877 N898 | V872-Y900 HydrophobicContact CB-CD1 4.22Å; V872-Y900 HydrophobicContact CB-CE1 4.22Å; V872-Y900 HydrophobicContact CB-CG 4.45Å; V872-Y900 HydrophobicContact CG1-CD1 4.46Å; V872-Y900 HydrophobicContact CG1-CD2 4.5Å; V872-Y900 HydrophobicContact CG1-CE1 4.04Å; V872-Y900 HydrophobicContact CG1-CE2 4.07Å; P874-Y900 WeakPolarHBondContact CA-O 3.24Å; H877-Y900 WeakPolarHBondContact CD2-CB 3Å; H877-Y900 AromaticContact NE2-CD2 3.71Å; N898-Y900 PolarHBondContact OD1-N 3.47Å |
| 901 | Y | 81.8 | Confident | 77.1 | Confident | 7 Ų | 7 | 66.8 Ų | 66.8 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -79.9 | 150.8 | 172.5 | 80.5 | -89 | 0 | 0 | 0 | 111.3 | N878 F894 L895 N898 S903 V906 R924 | N878-Y901 WeakPolarHBondContact OD1-CA 3.48Å; F894-Y901 HydrophobicContact CE1-CD1 4.28Å; L895-Y901 HydrophobicContact CB-CE1 4.45Å; L895-Y901 HydrophobicContact CD2-CD2 4.28Å; L895-Y901 HydrophobicContact CD2-CE1 3.95Å; L895-Y901 HydrophobicContact CD2-CE2 3.61Å; L895-Y901 VanDerWaalsContact CD2-CZ 3.42Å; L895-Y901 VanDerWaalsContact O-CE1 3.31Å; L895-Y901 WeakPolarHBondContact O-CE1 3.4Å; L895-Y901 PolarHBondContact O-OH 2.99Å; N898-Y901 HydrophobicContact CB-CD1 4.08Å; N898-Y901 HydrophobicContact CB-CE1 4.49Å; N898-Y901 VanDerWaalsContact O-CD1 3.32Å; N898-Y901 WeakPolarHBondContact O-CD1 3.44Å; N898-Y901 WeakPolarHBondContact O-CE1 3.39Å; Y901-S903 PolarHBondContact O-N 3.37Å; Y901-V906 HydrophobicContact CD2-CB 3.65Å; Y901-V906 HydrophobicContact CD2-CG1 4.13Å; Y901-V906 HydrophobicContact CD2-CG2 3.57Å; Y901-V906 HydrophobicContact CE2-CB 3.96Å; Y901-V906 HydrophobicContact CE2-CG1 4.22Å; Y901-V906 HydrophobicContact CE2-CG2 4.38Å; Y901-V906 HydrophobicContact CG-CG2 4.27Å; Y901-R924 VanDerWaalsContact CE1-NH1 3.3Å; Y901-R924 PolarHBondContact O-NH1 2.87Å |
| 902 | N | 78.7 | Confident | 77.1 | Confident | 77 Ų | 77 | 75.4 Ų | 75.4 | 41% | 0.412 | 34% | 0.342 | S | S | . | . | trans | -83.4 | 113.9 | 176.1 | -175.6 | -27.9 | 0 | 0 | 0 | 110.7 | N878 S904 V905 V906 | N878-N902 PolarHBondContact OD1-N 3.43Å; N902-S904 VanDerWaalsContact C-N 3.27Å; N902-S904 PolarHBondContact O-N 3.11Å; N902-S904 WeakPolarHBondContact OD1-CB 3.38Å; N902-S904 PolarHBondContact OD1-N 2.97Å; N902-V905 HydrophobicContact CB-CB 4.31Å; N902-V905 HydrophobicContact CB-CG2 4.19Å; N902-V905 PolarHBondContact O-N 3.03Å; N902-V906 PolarHBondContact O-N 2.92Å | ||
| 903 | S | 78.8 | Confident | 77 | Confident | 13 Ų | 13 | 76.4 Ų | 76.4 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57 | -33.1 | -178.9 | -76.2 | 0 | 0 | 0 | 0 | 114.5 | Y901 G907 A921 | Y901-S903 PolarHBondContact O-N 3.37Å; S903-G907 WeakPolarHBondContact O-CA 3.17Å; S903-G907 PolarHBondContact O-N 3.19Å; S903-A921 VanDerWaalsContact CB-O 3.24Å; S903-A921 WeakPolarHBondContact CB-O 3.18Å; S903-A921 PolarHBondContact OG-O 3.13Å; S903-A921 VanDerWaalsContact OG-O 3.06Å |
| 904 | S | 75.6 | Confident | 77 | Confident | 63 Ų | 63 | 71.3 Ų | 71.3 | 44% | 0.441 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -72.1 | -48.1 | 178.9 | 166.5 | 0 | 0 | 0 | 0 | 111.6 | N902 K908 | N902-S904 VanDerWaalsContact C-N 3.27Å; N902-S904 PolarHBondContact O-N 3.11Å; N902-S904 WeakPolarHBondContact OD1-CB 3.38Å; N902-S904 PolarHBondContact OD1-N 2.97Å; S904-K908 VanDerWaalsContact O-CB 3.28Å; S904-K908 WeakPolarHBondContact O-CB 3.47Å; S904-K908 PolarHBondContact O-N 3.16Å |
| 905 | V | 76 | Confident | 76.6 | Confident | 68 Ų | 68 | 72 Ų | 72 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.4 | -43.7 | -177.6 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | N902 Y909 | N902-V905 HydrophobicContact CB-CB 4.31Å; N902-V905 HydrophobicContact CB-CG2 4.19Å; N902-V905 PolarHBondContact O-N 3.03Å; V905-Y909 PolarHBondContact O-N 3.33Å |
| 906 | V | 80 | Confident | 76.5 | Confident | 2 Ų | 2 | 77.8 Ų | 77.8 | 1% | 0.012 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -78 | -38.4 | 179.1 | -177.9 | 0 | 0 | 0 | 0 | 111.3 | A881 I885 L895 Y901 N902 K908 Y909 C910 | A881-V906 HydrophobicContact CB-CG1 4.48Å; A881-V906 HydrophobicContact CB-CG2 4.19Å; I885-V906 HydrophobicContact CD1-CG1 3.74Å; L895-V906 HydrophobicContact CD2-CG1 3.62Å; Y901-V906 HydrophobicContact CD2-CB 3.65Å; Y901-V906 HydrophobicContact CD2-CG1 4.13Å; Y901-V906 HydrophobicContact CD2-CG2 3.57Å; Y901-V906 HydrophobicContact CE2-CB 3.96Å; Y901-V906 HydrophobicContact CE2-CG1 4.22Å; Y901-V906 HydrophobicContact CE2-CG2 4.38Å; Y901-V906 HydrophobicContact CG-CG2 4.27Å; N902-V906 PolarHBondContact O-N 2.92Å; V906-K908 PolarHBondContact O-N 2.98Å; V906-Y909 CarbonylContact O-C 3.57Å; V906-Y909 WeakPolarHBondContact O-CA 3.48Å; V906-Y909 VanDerWaalsContact O-CB 3.31Å; V906-Y909 WeakPolarHBondContact O-CB 3.45Å; V906-Y909 PolarHBondContact O-N 3.43Å; V906-C910 PolarHBondContact O-N 3.06Å; V906-C910 PolarHBondContact O-SG 3.21Å |
| 907 | G | 79.5 | Confident | 76.6 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | S903 Y909 C910 E911 | S903-G907 WeakPolarHBondContact O-CA 3.17Å; S903-G907 PolarHBondContact O-N 3.19Å; G907-Y909 VanDerWaalsContact C-N 3.29Å; G907-Y909 PolarHBondContact O-N 2.79Å; G907-C910 CarbonylContact O-C 3.52Å; G907-C910 WeakPolarHBondContact O-CA 3.35Å; G907-C910 WeakPolarHBondContact O-CB 3.47Å; G907-C910 PolarHBondContact O-N 3.5Å; G907-E911 PolarHBondContact O-N 3.01Å |
| 908 | K | 78.2 | Confident | 76.7 | Confident | 145 Ų | 145 | 64.1 Ų | 64.1 | 63% | 0.63 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.4 | -32.1 | 173.5 | -167.6 | 172.2 | -172.2 | 170.3 | 0 | 113.1 | S904 V906 C910 Y922 | S904-K908 VanDerWaalsContact O-CB 3.28Å; S904-K908 WeakPolarHBondContact O-CB 3.47Å; S904-K908 PolarHBondContact O-N 3.16Å; V906-K908 PolarHBondContact O-N 2.98Å; K908-C910 VanDerWaalsContact C-N 3.32Å; K908-Y922 PolarHBondContact N-OH 3.06Å |
| 909 | Y | 78.7 | Confident | 76.8 | Confident | 65 Ų | 65 | 64 Ų | 64 | 26% | 0.255 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.5 | -33.8 | 171.5 | -165.8 | -105.7 | 0 | 0 | 0 | 111.6 | K882 I885 D886 V905 V906 G907 R913 | K882-Y909 HydrophobicContact CB-CE1 4.34Å; K882-Y909 HydrophobicContact CG-CD1 4.38Å; K882-Y909 HydrophobicContact CG-CE1 4.28Å; I885-Y909 HydrophobicContact CB-CE1 4.25Å; I885-Y909 HydrophobicContact CD1-CD1 4.14Å; I885-Y909 HydrophobicContact CG2-CD1 4.1Å; I885-Y909 HydrophobicContact CG2-CE1 3.88Å; D886-Y909 PolarHBondContact OD1-OH 3.42Å; D886-Y909 PolarHBondContact OD2-OH 3.16Å; V905-Y909 PolarHBondContact O-N 3.33Å; V906-Y909 CarbonylContact O-C 3.57Å; V906-Y909 WeakPolarHBondContact O-CA 3.48Å; V906-Y909 VanDerWaalsContact O-CB 3.31Å; V906-Y909 WeakPolarHBondContact O-CB 3.45Å; V906-Y909 PolarHBondContact O-N 3.43Å; G907-Y909 VanDerWaalsContact C-N 3.29Å; G907-Y909 PolarHBondContact O-N 2.79Å; Y909-R913 PolarHBondContact OH-NH2 2.95Å |
| 910 | C | 78.5 | Confident | 77 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -76.1 | -32.5 | 177 | -71 | 0 | 0 | 0 | 0 | 113.8 | V906 G907 K908 K912 R913 D914 L917 A918 | V906-C910 PolarHBondContact O-N 3.06Å; V906-C910 PolarHBondContact O-SG 3.21Å; G907-C910 CarbonylContact O-C 3.52Å; G907-C910 WeakPolarHBondContact O-CA 3.35Å; G907-C910 WeakPolarHBondContact O-CB 3.47Å; G907-C910 PolarHBondContact O-N 3.5Å; K908-C910 VanDerWaalsContact C-N 3.32Å; C910-K912 PolarHBondContact O-N 2.92Å; C910-R913 PolarHBondContact O-N 3.33Å; C910-D914 CarbonylContact O-C 3.48Å; C910-D914 PolarHBondContact O-N 2.88Å; C910-L917 HydrophobicContact CB-CB 4.15Å; C910-A918 HydrophobicContact CB-CB 4.27Å |
| 911 | E | 78 | Confident | 76.8 | Confident | 58 Ų | 58 | 53.5 Ų | 53.5 | 27% | 0.271 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -50.1 | -37.7 | -179.6 | -76.5 | 178.3 | 171.5 | 0 | 0 | 113.1 | G907 A918 Y922 R933 | G907-E911 PolarHBondContact O-N 3.01Å; E911-A918 HydrophobicContact CG-CB 4.01Å; E911-Y922 HydrophobicContact CG-CE2 4.19Å; E911-Y922 WeakPolarHBondContact OE1-CE2 3.47Å; E911-Y922 PolarHBondContact OE1-OH 2.88Å; E911-R933 IonicContact OE1-NH2 3.96Å; E911-R933 PolarHBondContact OE1-NH2 2.87Å; E911-R933 VanDerWaalsContact OE1-NH2 3.15Å |
| 912 | K | 72.4 | Confident | 76.8 | Confident | 201 Ų | 201 | 53.4 Ų | 53.4 | 87% | 0.874 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -12.3 | 179.2 | -67.7 | -173.6 | 177.3 | -178.1 | 0 | 114.5 | C910 | C910-K912 PolarHBondContact O-N 2.92Š|
| 913 | R | 71.3 | Confident | 76.5 | Confident | 128 Ų | 128 | 56.5 Ų | 56.5 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | -43.9 | -169.3 | -67.7 | -179.4 | 173.4 | -130.5 | 5.8 | 112.8 | D886 Y909 C910 | D886-R913 IonicContact OD1-CZ 2.86Å; D886-R913 IonicContact OD1-NH1 3.56Å; D886-R913 PolarHBondContact OD1-NH1 3.4Å; D886-R913 IonicContact OD1-NH2 2.68Å; D886-R913 PolarHBondContact OD1-NH2 2.98Å; Y909-R913 PolarHBondContact OH-NH2 2.95Å; C910-R913 PolarHBondContact O-N 3.33Å |
| 914 | D | 73 | Confident | 76.4 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 31% | 0.305 | 29% | 0.286 | S | S | . | . | trans | -157 | 108.1 | 174.9 | -171 | -26.9 | 0 | 0 | 0 | 110.6 | C910 H916 L917 A918 | C910-D914 CarbonylContact O-C 3.48Å; C910-D914 PolarHBondContact O-N 2.88Å; D914-H916 VanDerWaalsContact C-N 3.26Å; D914-H916 PolarHBondContact O-N 2.99Å; D914-H916 WeakPolarHBondContact OD1-CB 3.17Å; D914-H916 PolarHBondContact OD1-N 3.24Å; D914-L917 HydrophobicContact CB-CB 4.14Å; D914-L917 HydrophobicContact CB-CD1 3.8Å; D914-L917 HydrophobicContact CB-CG 3.76Å; D914-L917 PolarHBondContact O-N 3.19Å; D914-A918 PolarHBondContact O-N 2.9Å | ||
| 915 | P | 73.4 | Confident | 76.2 | Confident | 49 Ų | 49 | 59.2 Ų | 59.2 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.7 | -25.3 | 179.4 | -24.4 | 34.8 | 0 | 0 | 0 | 114.6 | A918 C919 | P915-A918 WeakPolarHBondContact O-CB 3.34Å; P915-A918 PolarHBondContact O-N 3.29Å; P915-C919 PolarHBondContact O-N 3.21Å; P915-C919 PolarHBondContact O-SG 3.18Å |
| 916 | H | 74.3 | Confident | 76 | Confident | 123 Ų | 123 | 63.1 Ų | 63.1 | 57% | 0.569 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -72.5 | -37.3 | 175.2 | -79.8 | -44.6 | 0 | 0 | 0 | 111.7 | D914 A918 C919 I920 | D914-H916 VanDerWaalsContact C-N 3.26Å; D914-H916 PolarHBondContact O-N 2.99Å; D914-H916 WeakPolarHBondContact OD1-CB 3.17Å; D914-H916 PolarHBondContact OD1-N 3.24Å; H916-A918 PolarHBondContact O-N 2.91Å; H916-C919 PolarHBondContact O-N 2.88Å; H916-I920 WeakPolarHBondContact O-CG1 3.38Å; H916-I920 PolarHBondContact O-N 3.37Å |
| 917 | L | 77.1 | Confident | 75.6 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.1 | -34.6 | 171.4 | -61.9 | -176.2 | 0 | 0 | 0 | 111.4 | P891 E892 L895 C910 D914 I920 A921 | P891-L917 HydrophobicContact CB-CD1 4.33Å; P891-L917 HydrophobicContact CG-CD1 4.31Å; E892-L917 HydrophobicContact CB-CD2 4.35Å; E892-L917 HydrophobicContact CG-CD2 3.34Å; L895-L917 HydrophobicContact CD1-CB 3.98Å; L895-L917 HydrophobicContact CD1-CD1 4.46Å; L895-L917 HydrophobicContact CD1-CD2 4.21Å; L895-L917 HydrophobicContact CD1-CG 4.45Å; C910-L917 HydrophobicContact CB-CB 4.15Å; D914-L917 HydrophobicContact CB-CB 4.14Å; D914-L917 HydrophobicContact CB-CD1 3.8Å; D914-L917 HydrophobicContact CB-CG 3.76Å; D914-L917 PolarHBondContact O-N 3.19Å; L917-I920 PolarHBondContact O-N 3.25Å; L917-A921 WeakPolarHBondContact O-CB 3.33Å; L917-A921 PolarHBondContact O-N 3.46Å |
| 918 | A | 77.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | C910 E911 D914 P915 H916 I920 A921 Y922 | C910-A918 HydrophobicContact CB-CB 4.27Å; E911-A918 HydrophobicContact CG-CB 4.01Å; D914-A918 PolarHBondContact O-N 2.9Å; P915-A918 WeakPolarHBondContact O-CB 3.34Å; P915-A918 PolarHBondContact O-N 3.29Å; H916-A918 PolarHBondContact O-N 2.91Å; A918-I920 VanDerWaalsContact C-N 3.3Å; A918-I920 PolarHBondContact O-N 3.42Å; A918-A921 PolarHBondContact O-N 2.98Å; A918-A921 VanDerWaalsContact O-N 3.16Å; A918-Y922 HydrophobicContact CB-CD2 4.34Å; A918-Y922 HydrophobicContact CB-CE2 4.05Å; A918-Y922 WeakPolarHBondContact O-CB 3.44Å; A918-Y922 WeakPolarHBondContact O-CD2 3.29Å; A918-Y922 VanDerWaalsContact O-CG 3.26Å; A918-Y922 PolarHBondContact O-N 3.16Å |
| 919 | C | 77.3 | Confident | 75.3 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 14% | 0.142 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 174.7 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | P915 H916 Y922 E923 | P915-C919 PolarHBondContact O-N 3.21Å; P915-C919 PolarHBondContact O-SG 3.18Å; H916-C919 PolarHBondContact O-N 2.88Å; C919-Y922 PolarHBondContact O-N 2.97Å; C919-E923 VanDerWaalsContact O-CB 3.25Å; C919-E923 WeakPolarHBondContact O-CB 3.24Å; C919-E923 PolarHBondContact O-N 3.48Å |
| 920 | I | 77.8 | Confident | 75.1 | Confident | 33 Ų | 33 | 65.4 Ų | 65.4 | 17% | 0.169 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 176.6 | -66.2 | 167.7 | 0 | 0 | 0 | 111.1 | R896 H916 L917 A918 Y922 R924 | R896-I920 HydrophobicContact CG-CG2 3.88Å; H916-I920 WeakPolarHBondContact O-CG1 3.38Å; H916-I920 PolarHBondContact O-N 3.37Å; L917-I920 PolarHBondContact O-N 3.25Å; A918-I920 VanDerWaalsContact C-N 3.3Å; A918-I920 PolarHBondContact O-N 3.42Å; I920-Y922 VanDerWaalsContact C-N 3.33Å; I920-Y922 PolarHBondContact O-N 3.35Å; I920-R924 PolarHBondContact O-N 2.89Å |
| 921 | A | 76.1 | Confident | 75 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | S903 L917 A918 G925 | S903-A921 VanDerWaalsContact CB-O 3.24Å; S903-A921 WeakPolarHBondContact CB-O 3.18Å; S903-A921 PolarHBondContact OG-O 3.13Å; S903-A921 VanDerWaalsContact OG-O 3.06Å; L917-A921 WeakPolarHBondContact O-CB 3.33Å; L917-A921 PolarHBondContact O-N 3.46Å; A918-A921 PolarHBondContact O-N 2.98Å; A918-A921 VanDerWaalsContact O-N 3.16Å; A921-G925 PolarHBondContact O-N 3.09Å; A921-G925 VanDerWaalsContact O-N 3.17Å |
| 922 | Y | 80.4 | Confident | 74.7 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 2% | 0.02 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -78.3 | -36.9 | -179.5 | -66.6 | -33.4 | 0 | 0 | 0 | 114.1 | K908 E911 A918 C919 I920 R924 G925 H926 C927 D930 V934 | K908-Y922 PolarHBondContact N-OH 3.06Å; E911-Y922 HydrophobicContact CG-CE2 4.19Å; E911-Y922 WeakPolarHBondContact OE1-CE2 3.47Å; E911-Y922 PolarHBondContact OE1-OH 2.88Å; A918-Y922 HydrophobicContact CB-CD2 4.34Å; A918-Y922 HydrophobicContact CB-CE2 4.05Å; A918-Y922 WeakPolarHBondContact O-CB 3.44Å; A918-Y922 WeakPolarHBondContact O-CD2 3.29Å; A918-Y922 VanDerWaalsContact O-CG 3.26Å; A918-Y922 PolarHBondContact O-N 3.16Å; C919-Y922 PolarHBondContact O-N 2.97Å; I920-Y922 VanDerWaalsContact C-N 3.33Å; I920-Y922 PolarHBondContact O-N 3.35Å; Y922-R924 VanDerWaalsContact C-N 3.33Å; Y922-G925 CarbonylContact O-C 3.37Å; Y922-G925 WeakPolarHBondContact O-CA 3.42Å; Y922-G925 PolarHBondContact O-N 2.88Å; Y922-H926 PolarHBondContact O-N 3Å; Y922-C927 HydrophobicContact CD1-CB 3.83Å; Y922-C927 HydrophobicContact CG-CB 4.13Å; Y922-C927 PolarHBondContact O-N 3.36Å; Y922-D930 HydrophobicContact CD1-CB 4.43Å; Y922-D930 HydrophobicContact CD2-CB 4.1Å; Y922-D930 HydrophobicContact CE1-CB 4.36Å; Y922-D930 HydrophobicContact CE2-CB 3.99Å; Y922-D930 HydrophobicContact CG-CB 4.32Å; Y922-V934 HydrophobicContact CE2-CG2 4.13Å |
| 923 | E | 72.6 | Confident | 75 | Confident | 141 Ų | 141 | 59.6 Ų | 59.6 | 66% | 0.659 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | 172.7 | -173.2 | 180 | -177.8 | 0 | 0 | 110.3 | C919 G925 H926 | C919-E923 VanDerWaalsContact O-CB 3.25Å; C919-E923 WeakPolarHBondContact O-CB 3.24Å; C919-E923 PolarHBondContact O-N 3.48Å; E923-G925 PolarHBondContact O-N 3.34Å; E923-H926 PolarHBondContact O-N 3.32Å |
| 924 | R | 76.9 | Confident | 75.3 | Confident | 101 Ų | 101 | 53.8 Ų | 53.8 | 38% | 0.381 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.2 | -40.9 | 170.8 | -174.9 | -158.4 | 164.1 | -155.1 | -7.7 | 111.2 | N898 Q899 Y901 I920 Y922 H926 | N898-R924 PolarHBondContact O-NH1 3.37Å; Q899-R924 PolarHBondContact O-NH2 2.97Å; Y901-R924 VanDerWaalsContact CE1-NH1 3.3Å; Y901-R924 PolarHBondContact O-NH1 2.87Å; I920-R924 PolarHBondContact O-N 2.89Å; Y922-R924 VanDerWaalsContact C-N 3.33Å; R924-H926 PolarHBondContact O-ND1 2.93Å |
| 925 | G | 71.1 | Confident | 75.4 | Confident | 33 Ų | 33 | 51.1 Ų | 51.1 | 34% | 0.34 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -84.3 | -4.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | A921 Y922 E923 C927 | A921-G925 PolarHBondContact O-N 3.09Å; A921-G925 VanDerWaalsContact O-N 3.17Å; Y922-G925 CarbonylContact O-C 3.37Å; Y922-G925 WeakPolarHBondContact O-CA 3.42Å; Y922-G925 PolarHBondContact O-N 2.88Å; E923-G925 PolarHBondContact O-N 3.34Å; G925-C927 PolarHBondContact O-N 2.89Å; G925-C927 PolarHBondContact O-SG 2.79Å |
| 926 | H | 71.5 | Confident | 75.5 | Confident | 150 Ų | 150 | 50.3 Ų | 50.3 | 69% | 0.694 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 39.9 | -170.8 | -58 | 68.9 | 0 | 0 | 0 | 112.7 | Y922 E923 R924 D928 | Y922-H926 PolarHBondContact O-N 3Å; E923-H926 PolarHBondContact O-N 3.32Å; R924-H926 PolarHBondContact O-ND1 2.93Å; H926-D928 VanDerWaalsContact C-N 3.34Å; H926-D928 PolarHBondContact O-N 2.7Å; H926-D928 VanDerWaalsContact O-N 3.12Å |
| 927 | C | 73.3 | Confident | 75.5 | Confident | 29 Ų | 29 | 51.1 Ų | 51.1 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | trans | -86.9 | 71.8 | -179 | -53.5 | 0 | 0 | 0 | 0 | 110.4 | Y922 G925 Q929 D930 L931 | Y922-C927 HydrophobicContact CD1-CB 3.83Å; Y922-C927 HydrophobicContact CG-CB 4.13Å; Y922-C927 PolarHBondContact O-N 3.36Å; G925-C927 PolarHBondContact O-N 2.89Å; G925-C927 PolarHBondContact O-SG 2.79Å; C927-Q929 PolarHBondContact O-N 3.11Å; C927-D930 HydrophobicContact CB-CB 4.13Å; C927-D930 PolarHBondContact O-N 3.11Å; C927-L931 WeakPolarHBondContact O-CB 3.15Å; C927-L931 PolarHBondContact O-N 2.9Å | ||
| 928 | D | 75 | Confident | 75.3 | Confident | 41 Ų | 41 | 54.1 Ų | 54.1 | 22% | 0.219 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.1 | -45.6 | -169.1 | -66.4 | -24.4 | 0 | 0 | 0 | 114.2 | H926 L931 I932 Y947 | H926-D928 VanDerWaalsContact C-N 3.34Å; H926-D928 PolarHBondContact O-N 2.7Å; H926-D928 VanDerWaalsContact O-N 3.12Å; D928-L931 PolarHBondContact O-N 3.11Å; D928-I932 VanDerWaalsContact O-CG1 3.28Å; D928-I932 WeakPolarHBondContact O-CG1 3.34Å; D928-I932 PolarHBondContact O-N 2.78Å; D928-Y947 PolarHBondContact OD1-OH 3.24Å |
| 929 | Q | 74.9 | Confident | 75.2 | Confident | 143 Ų | 143 | 57.2 Ų | 57.2 | 67% | 0.668 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -69.7 | -40.2 | -179.8 | -69.3 | -175.7 | -11.8 | 0 | 0 | 112.3 | C927 L931 R933 | C927-Q929 PolarHBondContact O-N 3.11Å; Q929-L931 VanDerWaalsContact C-N 3.27Å; Q929-L931 PolarHBondContact O-N 3.11Å; Q929-R933 VanDerWaalsContact O-CB 3.26Å; Q929-R933 WeakPolarHBondContact O-CB 3.45Å; Q929-R933 PolarHBondContact O-N 3.15Å |
| 930 | D | 73.9 | Confident | 75.2 | Confident | 47 Ų | 47 | 58.5 Ų | 58.5 | 25% | 0.251 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.1 | -35.3 | 175.5 | -65.1 | -55.7 | 0 | 0 | 0 | 110.3 | Y922 C927 R933 V934 | Y922-D930 HydrophobicContact CD1-CB 4.43Å; Y922-D930 HydrophobicContact CD2-CB 4.1Å; Y922-D930 HydrophobicContact CE1-CB 4.36Å; Y922-D930 HydrophobicContact CE2-CB 3.99Å; Y922-D930 HydrophobicContact CG-CB 4.32Å; C927-D930 HydrophobicContact CB-CB 4.13Å; C927-D930 PolarHBondContact O-N 3.11Å; D930-R933 IonicContact OD1-CZ 3.76Å; D930-R933 IonicContact OD1-NH1 2.78Å; D930-R933 PolarHBondContact OD1-NH1 2.74Å; D930-R933 IonicContact OD1-NH2 3.5Å; D930-R933 PolarHBondContact OD1-NH2 2.91Å; D930-V934 WeakPolarHBondContact O-CB 3.39Å; D930-V934 WeakPolarHBondContact O-CG2 3.41Å; D930-V934 PolarHBondContact O-N 3.29Å |
| 931 | L | 76.9 | Confident | 75.1 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.5 | -46.2 | 176.1 | -171.5 | 153 | 0 | 0 | 0 | 112.1 | C927 D928 Q929 R933 V934 C935 | C927-L931 WeakPolarHBondContact O-CB 3.15Å; C927-L931 PolarHBondContact O-N 2.9Å; D928-L931 PolarHBondContact O-N 3.11Å; Q929-L931 VanDerWaalsContact C-N 3.27Å; Q929-L931 PolarHBondContact O-N 3.11Å; L931-R933 VanDerWaalsContact C-N 3.33Å; L931-R933 PolarHBondContact O-N 3.12Å; L931-V934 PolarHBondContact O-N 3.33Å; L931-C935 VanDerWaalsContact O-CB 3.26Å; L931-C935 WeakPolarHBondContact O-CB 3.34Å; L931-C935 PolarHBondContact O-N 3.45Å; L931-C935 PolarHBondContact O-SG 3.13Å; L931-C935 VanDerWaalsContact O-SG 3.37Å |
| 932 | I | 72.7 | Confident | 75 | Confident | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.128 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 175 | -68.5 | 167.6 | 0 | 0 | 0 | 110.2 | D928 C935 N936 L956 | D928-I932 VanDerWaalsContact O-CG1 3.28Å; D928-I932 WeakPolarHBondContact O-CG1 3.34Å; D928-I932 PolarHBondContact O-N 2.78Å; I932-C935 PolarHBondContact O-N 2.85Å; I932-N936 VanDerWaalsContact CG2-ND2 3.26Å; I932-N936 WeakPolarHBondContact CG2-ND2 3.2Å; I932-N936 VanDerWaalsContact O-CB 3.29Å; I932-N936 WeakPolarHBondContact O-CB 3.45Å; I932-N936 PolarHBondContact O-N 2.82Å; I932-N936 PolarHBondContact O-ND2 2.84Å; I932-N936 VanDerWaalsContact O-ND2 3.14Å; I932-L956 HydrophobicContact CD1-CD2 3.81Å |
| 933 | R | 78.8 | Confident | 74.8 | Confident | 96 Ų | 96 | 68.8 Ų | 68.8 | 36% | 0.362 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.1 | -51.8 | 175.7 | -176.2 | -177.9 | 68.5 | -118.1 | -2.7 | 111.2 | E911 Q929 D930 L931 C935 N936 E937 | E911-R933 IonicContact OE1-NH2 3.96Å; E911-R933 PolarHBondContact OE1-NH2 2.87Å; E911-R933 VanDerWaalsContact OE1-NH2 3.15Å; Q929-R933 VanDerWaalsContact O-CB 3.26Å; Q929-R933 WeakPolarHBondContact O-CB 3.45Å; Q929-R933 PolarHBondContact O-N 3.15Å; D930-R933 IonicContact OD1-CZ 3.76Å; D930-R933 IonicContact OD1-NH1 2.78Å; D930-R933 PolarHBondContact OD1-NH1 2.74Å; D930-R933 IonicContact OD1-NH2 3.5Å; D930-R933 PolarHBondContact OD1-NH2 2.91Å; L931-R933 VanDerWaalsContact C-N 3.33Å; L931-R933 PolarHBondContact O-N 3.12Å; R933-C935 VanDerWaalsContact C-N 3.29Å; R933-C935 PolarHBondContact O-N 3.01Å; R933-N936 PolarHBondContact O-N 3.18Å; R933-E937 HydrophobicContact CG-CG 4.25Å; R933-E937 VanDerWaalsContact CG-OE1 3.28Å; R933-E937 WeakPolarHBondContact CG-OE1 3.28Å; R933-E937 WeakPolarHBondContact O-CB 3.43Å; R933-E937 VanDerWaalsContact O-CG 3.32Å; R933-E937 WeakPolarHBondContact O-CG 3.39Å; R933-E937 PolarHBondContact O-N 2.82Å |
| 934 | V | 77.9 | Confident | 74.9 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.03 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 179.3 | 170.2 | 0 | 0 | 0 | 0 | 111 | Y922 D930 L931 N938 | Y922-V934 HydrophobicContact CE2-CG2 4.13Å; D930-V934 WeakPolarHBondContact O-CB 3.39Å; D930-V934 WeakPolarHBondContact O-CG2 3.41Å; D930-V934 PolarHBondContact O-N 3.29Å; L931-V934 PolarHBondContact O-N 3.33Å; V934-N938 VanDerWaalsContact O-CB 3.31Å; V934-N938 WeakPolarHBondContact O-CB 3.34Å; V934-N938 PolarHBondContact O-N 2.91Å; V934-N938 VanDerWaalsContact O-N 3.1Å; V934-N938 PolarHBondContact O-ND2 3.04Å |
| 935 | C | 74.4 | Confident | 74.6 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 175.6 | -79.5 | 0 | 0 | 0 | 0 | 112.7 | L931 I932 R933 N938 A939 L940 | L931-C935 VanDerWaalsContact O-CB 3.26Å; L931-C935 WeakPolarHBondContact O-CB 3.34Å; L931-C935 PolarHBondContact O-N 3.45Å; L931-C935 PolarHBondContact O-SG 3.13Å; L931-C935 VanDerWaalsContact O-SG 3.37Å; I932-C935 PolarHBondContact O-N 2.85Å; R933-C935 VanDerWaalsContact C-N 3.29Å; R933-C935 PolarHBondContact O-N 3.01Å; C935-N938 CarbonylContact O-C 3.53Å; C935-A939 CarbonylContact O-C 3.55Å; C935-A939 WeakPolarHBondContact O-CA 3.22Å; C935-A939 PolarHBondContact O-N 2.62Å; C935-L940 HydrophobicContact CB-CB 4.09Å; C935-L940 PolarHBondContact O-N 3.14Å |
| 936 | N | 74.8 | Confident | 74.9 | Confident | 33 Ų | 33 | 62.4 Ų | 62.4 | 18% | 0.176 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.6 | -43.3 | 178.1 | -80.3 | -43.5 | 0 | 0 | 0 | 112.1 | I932 R933 N938 A939 E944 | I932-N936 VanDerWaalsContact CG2-ND2 3.26Å; I932-N936 WeakPolarHBondContact CG2-ND2 3.2Å; I932-N936 VanDerWaalsContact O-CB 3.29Å; I932-N936 WeakPolarHBondContact O-CB 3.45Å; I932-N936 PolarHBondContact O-N 2.82Å; I932-N936 PolarHBondContact O-ND2 2.84Å; I932-N936 VanDerWaalsContact O-ND2 3.14Å; R933-N936 PolarHBondContact O-N 3.18Å; N936-N938 VanDerWaalsContact C-N 3.27Å; N936-N938 PolarHBondContact O-N 3.44Å; N936-A939 PolarHBondContact O-N 2.9Å; N936-E944 PolarHBondContact ND2-OE1 3.02Å; N936-E944 PolarHBondContact OD1-OE2 2.99Å |
| 937 | E | 74.4 | Confident | 75.1 | Confident | 139 Ų | 139 | 58 Ų | 58 | 65% | 0.65 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -65.2 | -29.8 | 177.8 | -73.2 | 177.8 | -179.2 | 0 | 0 | 112.7 | R933 | R933-E937 HydrophobicContact CG-CG 4.25Å; R933-E937 VanDerWaalsContact CG-OE1 3.28Å; R933-E937 WeakPolarHBondContact CG-OE1 3.28Å; R933-E937 WeakPolarHBondContact O-CB 3.43Å; R933-E937 VanDerWaalsContact O-CG 3.32Å; R933-E937 WeakPolarHBondContact O-CG 3.39Å; R933-E937 PolarHBondContact O-N 2.82Å |
| 938 | N | 73.6 | Confident | 75.2 | Confident | 77 Ų | 77 | 56.7 Ų | 56.7 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 13 | -179.2 | -60.8 | -79.4 | 0 | 0 | 0 | 114.1 | V934 C935 N936 L940 | V934-N938 VanDerWaalsContact O-CB 3.31Å; V934-N938 WeakPolarHBondContact O-CB 3.34Å; V934-N938 PolarHBondContact O-N 2.91Å; V934-N938 VanDerWaalsContact O-N 3.1Å; V934-N938 PolarHBondContact O-ND2 3.04Å; C935-N938 CarbonylContact O-C 3.53Å; N936-N938 VanDerWaalsContact C-N 3.27Å; N936-N938 PolarHBondContact O-N 3.44Å; N938-L940 HydrophobicContact CB-CD1 4.37Å; N938-L940 HydrophobicContact CB-CG 4.32Å; N938-L940 PolarHBondContact O-N 2.78Å |
| 939 | A | 75.7 | Confident | 75.1 | Confident | 64 Ų | 64 | 55.7 Ų | 55.7 | 53% | 0.529 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | C935 N936 F941 | C935-A939 CarbonylContact O-C 3.55Å; C935-A939 WeakPolarHBondContact O-CA 3.22Å; C935-A939 PolarHBondContact O-N 2.62Å; N936-A939 PolarHBondContact O-N 2.9Å; A939-F941 HydrophobicContact CB-CE2 3.94Å; A939-F941 HydrophobicContact CB-CZ 4.37Å; A939-F941 PolarHBondContact O-N 3.38Å |
| 940 | L | 76.2 | Confident | 74.9 | Confident | 49 Ų | 49 | 58.6 Ų | 58.6 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | trans | -93.1 | 41.8 | -177.3 | -57.9 | 173.9 | 0 | 0 | 0 | 113.8 | C935 N938 K942 T943 E944 | C935-L940 HydrophobicContact CB-CB 4.09Å; C935-L940 PolarHBondContact O-N 3.14Å; N938-L940 HydrophobicContact CB-CD1 4.37Å; N938-L940 HydrophobicContact CB-CG 4.32Å; N938-L940 PolarHBondContact O-N 2.78Å; L940-K942 VanDerWaalsContact C-N 3.29Å; L940-K942 PolarHBondContact O-N 2.8Å; L940-K942 VanDerWaalsContact O-N 3.13Å; L940-T943 WeakPolarHBondContact O-CB 3.39Å; L940-T943 PolarHBondContact O-N 2.81Å; L940-E944 PolarHBondContact O-N 2.85Å | ||
| 941 | F | 75.2 | Confident | 75.1 | Confident | 41 Ų | 41 | 61.2 Ų | 61.2 | 18% | 0.18 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -25.6 | -170.6 | -52.8 | -64 | 0 | 0 | 0 | 116 | A939 E944 A945 Y967 | A939-F941 HydrophobicContact CB-CE2 3.94Å; A939-F941 HydrophobicContact CB-CZ 4.37Å; A939-F941 PolarHBondContact O-N 3.38Å; F941-E944 WeakPolarHBondContact CD1-OE2 3.41Å; F941-E944 PolarHBondContact O-N 2.9Å; F941-A945 WeakPolarHBondContact O-CB 3.19Å; F941-A945 PolarHBondContact O-N 3.01Å; F941-Y967 AromaticContact CE1-CD1 3.97Å; F941-Y967 HydrophobicContact CE1-CD1 3.97Å; F941-Y967 HydrophobicContact CE1-CD2 4.42Å; F941-Y967 AromaticContact CE1-CG 3.84Å; F941-Y967 HydrophobicContact CE1-CG 3.84Å; F941-Y967 AromaticContact CZ-CD1 3.59Å; F941-Y967 HydrophobicContact CZ-CD1 3.59Å; F941-Y967 HydrophobicContact CZ-CE1 4.03Å; F941-Y967 AromaticContact CZ-CG 3.97Å; F941-Y967 HydrophobicContact CZ-CG 3.97Å |
| 942 | K | 75.5 | Confident | 74.7 | Confident | 129 Ų | 129 | 64.8 Ų | 64.8 | 56% | 0.561 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -70.2 | -35.5 | 175.9 | -171.1 | 175.9 | -175.5 | 172.9 | 0 | 111.8 | L940 R946 | L940-K942 VanDerWaalsContact C-N 3.29Å; L940-K942 PolarHBondContact O-N 2.8Å; L940-K942 VanDerWaalsContact O-N 3.13Å; K942-R946 WeakPolarHBondContact O-CG 3.27Å; K942-R946 PolarHBondContact O-N 2.99Å |
| 943 | T | 74.6 | Confident | 74.9 | Confident | 84 Ų | 84 | 66.5 Ų | 66.5 | 52% | 0.515 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.6 | -39.5 | 174.4 | -51.3 | 0 | 0 | 0 | 0 | 109.5 | L940 Y947 | L940-T943 WeakPolarHBondContact O-CB 3.39Å; L940-T943 PolarHBondContact O-N 2.81Å; T943-Y947 VanDerWaalsContact O-CB 3.32Å; T943-Y947 WeakPolarHBondContact O-CB 3.19Å; T943-Y947 PolarHBondContact O-N 2.97Å |
| 944 | E | 76.1 | Confident | 74.4 | Confident | 8 Ų | 8 | 66.3 Ų | 66.3 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66 | -48.4 | 177.3 | -170.5 | -179.6 | -170.1 | 0 | 0 | 113.2 | N936 L940 F941 R946 Y947 L948 | N936-E944 PolarHBondContact ND2-OE1 3.02Å; N936-E944 PolarHBondContact OD1-OE2 2.99Å; L940-E944 PolarHBondContact O-N 2.85Å; F941-E944 WeakPolarHBondContact CD1-OE2 3.41Å; F941-E944 PolarHBondContact O-N 2.9Å; E944-R946 VanDerWaalsContact C-N 3.3Å; E944-R946 PolarHBondContact O-N 2.93Å; E944-Y947 WeakPolarHBondContact O-CA 3.33Å; E944-Y947 VanDerWaalsContact O-CB 3.31Å; E944-Y947 WeakPolarHBondContact O-CB 3.41Å; E944-Y947 PolarHBondContact O-N 2.84Å; E944-L948 HydrophobicContact CG-CD1 4.3Å; E944-L948 WeakPolarHBondContact O-CG 3.47Å; E944-L948 PolarHBondContact O-N 2.78Å |
| 945 | A | 71.1 | Confident | 74.2 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 7% | 0.066 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F941 V949 L971 Q974 | F941-A945 WeakPolarHBondContact O-CB 3.19Å; F941-A945 PolarHBondContact O-N 3.01Å; A945-V949 PolarHBondContact O-N 3.48Å; A945-L971 HydrophobicContact CB-CD1 4.3Å; A945-Q974 HydrophobicContact CB-CB 4.4Å |
| 946 | R | 75.4 | Confident | 74.1 | Confident | 124 Ų | 124 | 74.6 Ų | 74.6 | 47% | 0.468 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.5 | -36.6 | 173 | -76.8 | 177.3 | 175.3 | 177.5 | -3.7 | 112.3 | K942 E944 R950 | K942-R946 WeakPolarHBondContact O-CG 3.27Å; K942-R946 PolarHBondContact O-N 2.99Å; E944-R946 VanDerWaalsContact C-N 3.3Å; E944-R946 PolarHBondContact O-N 2.93Å; R946-R950 WeakPolarHBondContact O-CB 3.15Å; R946-R950 WeakPolarHBondContact O-CG 3.41Å; R946-R950 PolarHBondContact O-N 2.83Å |
| 947 | Y | 77.7 | Confident | 74.1 | Confident | 57 Ų | 57 | 73.6 Ų | 73.6 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.6 | -51.7 | 175.7 | -170.1 | -114.2 | 0 | 0 | 0 | 110.2 | D928 T943 E944 R950 R951 | D928-Y947 PolarHBondContact OD1-OH 3.24Å; T943-Y947 VanDerWaalsContact O-CB 3.32Å; T943-Y947 WeakPolarHBondContact O-CB 3.19Å; T943-Y947 PolarHBondContact O-N 2.97Å; E944-Y947 WeakPolarHBondContact O-CA 3.33Å; E944-Y947 VanDerWaalsContact O-CB 3.31Å; E944-Y947 WeakPolarHBondContact O-CB 3.41Å; E944-Y947 PolarHBondContact O-N 2.84Å; Y947-R950 PolarHBondContact O-N 3.45Å; Y947-R951 HydrophobicContact CE1-CG 4.4Å; Y947-R951 WeakPolarHBondContact O-CB 3.36Å; Y947-R951 PolarHBondContact O-N 2.88Å |
| 948 | L | 74.8 | Confident | 73.9 | Confident | 3 Ų | 3 | 70.1 Ų | 70.1 | 2% | 0.016 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.6 | -47.6 | -175.3 | -70.9 | 172.1 | 0 | 0 | 0 | 114.3 | E944 R950 R951 K952 L956 A960 L971 | E944-L948 HydrophobicContact CG-CD1 4.3Å; E944-L948 WeakPolarHBondContact O-CG 3.47Å; E944-L948 PolarHBondContact O-N 2.78Å; L948-R950 PolarHBondContact O-N 3.49Å; L948-R951 PolarHBondContact O-N 3.38Å; L948-K952 PolarHBondContact O-N 2.85Å; L948-L956 HydrophobicContact CD2-CB 3.73Å; L948-A960 HydrophobicContact CD1-CB 3.86Å; L948-L971 HydrophobicContact CD1-CD1 4.01Å; L948-L971 HydrophobicContact CD1-CD2 3.89Å; L948-L971 HydrophobicContact CD1-CG 4.47Å |
| 949 | V | 72.5 | Confident | 73.8 | Confident | 20 Ų | 20 | 71.6 Ų | 71.6 | 12% | 0.121 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66 | -39 | 179.2 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | A945 R951 K952 W957 A979 | A945-V949 PolarHBondContact O-N 3.48Å; V949-R951 VanDerWaalsContact C-N 3.34Å; V949-K952 WeakPolarHBondContact O-CG 3.27Å; V949-W957 HydrophobicContact CG2-CZ2 4.19Å; V949-A979 HydrophobicContact CG2-CB 3.69Å |
| 950 | R | 70.7 | Confident | 73.4 | Confident | 204 Ų | 204 | 69 Ų | 69 | 77% | 0.77 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -69.7 | -30.7 | 176 | -74.8 | -178.8 | 179.1 | 176 | -0.5 | 113.1 | R946 Y947 L948 | R946-R950 WeakPolarHBondContact O-CB 3.15Å; R946-R950 WeakPolarHBondContact O-CG 3.41Å; R946-R950 PolarHBondContact O-N 2.83Å; Y947-R950 PolarHBondContact O-N 3.45Å; L948-R950 PolarHBondContact O-N 3.49Å |
| 951 | R | 78 | Confident | 73.1 | Confident | 102 Ų | 102 | 67.4 Ų | 67.4 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -75.1 | -27.1 | -177.1 | -129.2 | -49.2 | -164.8 | 165.3 | 20.9 | 113 | Y947 L948 V949 E953 L956 | Y947-R951 HydrophobicContact CE1-CG 4.4Å; Y947-R951 WeakPolarHBondContact O-CB 3.36Å; Y947-R951 PolarHBondContact O-N 2.88Å; L948-R951 PolarHBondContact O-N 3.38Å; V949-R951 VanDerWaalsContact C-N 3.34Å; R951-E953 IonicContact CZ-OE1 3.41Å; R951-E953 IonicContact CZ-OE2 3.7Å; R951-E953 VanDerWaalsContact CZ-OE2 3.24Å; R951-E953 IonicContact NE-OE1 2.68Å; R951-E953 IonicContact NE-OE2 3.08Å; R951-E953 PolarHBondContact NE-OE2 3.28Å; R951-E953 IonicContact NH1-OE1 3.75Å; R951-E953 PolarHBondContact NH1-OE1 3.22Å; R951-E953 IonicContact NH1-OE2 3.73Å; R951-E953 IonicContact NH2-OE1 2.88Å; R951-E953 PolarHBondContact NH2-OE1 2.63Å; R951-E953 IonicContact NH2-OE2 2.72Å; R951-E953 PolarHBondContact NH2-OE2 2.96Å; R951-E953 VanDerWaalsContact NH2-OE2 3.15Å; R951-E953 PolarHBondContact O-N 3.36Å; R951-L956 HydrophobicContact CB-CD1 4.04Å; R951-L956 HydrophobicContact CG-CD1 3.91Å |
| 952 | K | 69.4 | Low | 72.9 | Confident | 91 Ų | 91 | 67 Ų | 67 | 40% | 0.396 | 32% | 0.322 | S | S | . | . | trans | 57.1 | 22.7 | 177.1 | -55.6 | -172.5 | 178.8 | -159.5 | 0 | 115 | L948 V949 D985 E988 | L948-K952 PolarHBondContact O-N 2.85Å; V949-K952 WeakPolarHBondContact O-CG 3.27Å; K952-D985 IonicContact NZ-OD2 2.76Å; K952-D985 PolarHBondContact NZ-OD2 2.9Å; K952-E988 WeakPolarHBondContact CE-OE1 3.29Å; K952-E988 IonicContact NZ-OE1 3.26Å; K952-E988 PolarHBondContact NZ-OE1 2.99Å | ||
| 953 | E | 75.4 | Confident | 72.2 | Confident | 61 Ų | 61 | 69.2 Ų | 69.2 | 29% | 0.285 | 34% | 0.335 | S | S | . | . | trans | -98.6 | 124.3 | -175.5 | -83.3 | -174.4 | 165.2 | 0 | 0 | 113.9 | R951 E955 L956 W957 | R951-E953 IonicContact CZ-OE1 3.41Å; R951-E953 IonicContact CZ-OE2 3.7Å; R951-E953 VanDerWaalsContact CZ-OE2 3.24Å; R951-E953 IonicContact NE-OE1 2.68Å; R951-E953 IonicContact NE-OE2 3.08Å; R951-E953 PolarHBondContact NE-OE2 3.28Å; R951-E953 IonicContact NH1-OE1 3.75Å; R951-E953 PolarHBondContact NH1-OE1 3.22Å; R951-E953 IonicContact NH1-OE2 3.73Å; R951-E953 IonicContact NH2-OE1 2.88Å; R951-E953 PolarHBondContact NH2-OE1 2.63Å; R951-E953 IonicContact NH2-OE2 2.72Å; R951-E953 PolarHBondContact NH2-OE2 2.96Å; R951-E953 VanDerWaalsContact NH2-OE2 3.15Å; R951-E953 PolarHBondContact O-N 3.36Å; E953-E955 VanDerWaalsContact C-N 3.29Å; E953-E955 PolarHBondContact O-N 3.09Å; E953-L956 HydrophobicContact CB-CB 4.37Å; E953-L956 HydrophobicContact CB-CD1 4.05Å; E953-L956 HydrophobicContact CB-CG 4.26Å; E953-L956 PolarHBondContact O-N 2.9Å; E953-W957 VanDerWaalsContact O-CD1 3.25Å; E953-W957 PolarHBondContact O-N 3.03Å | ||
| 954 | P | 68.2 | Low | 71.9 | Confident | 93 Ų | 93 | 70.4 Ų | 70.4 | 60% | 0.604 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62 | -31.5 | -179 | -21.7 | 31.6 | 0 | 0 | 0 | 114.5 | W957 A958 | P954-W957 WeakPolarHBondContact O-CB 3.45Å; P954-W957 PolarHBondContact O-N 3.14Å; P954-A958 PolarHBondContact O-N 3.16Å |
| 955 | E | 75.3 | Confident | 71.4 | Confident | 162 Ų | 162 | 71.3 Ų | 71.3 | 76% | 0.757 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -69.3 | -43.5 | -178.6 | -64.3 | -178.2 | -179.1 | 0 | 0 | 111.2 | E953 W957 A958 E959 | E953-E955 VanDerWaalsContact C-N 3.29Å; E953-E955 PolarHBondContact O-N 3.09Å; E955-W957 VanDerWaalsContact C-N 3.27Å; E955-W957 PolarHBondContact O-N 3.26Å; E955-A958 PolarHBondContact O-N 3.15Å; E955-A958 VanDerWaalsContact O-N 3.13Å; E955-E959 PolarHBondContact O-N 2.86Å |
| 956 | L | 70.8 | Confident | 71.3 | Confident | 17 Ų | 17 | 75.5 Ų | 75.5 | 9% | 0.089 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.7 | -37.4 | 172.6 | -71.9 | 174.8 | 0 | 0 | 0 | 111.4 | I932 L948 R951 E953 A960 | I932-L956 HydrophobicContact CD1-CD2 3.81Å; L948-L956 HydrophobicContact CD2-CB 3.73Å; R951-L956 HydrophobicContact CB-CD1 4.04Å; R951-L956 HydrophobicContact CG-CD1 3.91Å; E953-L956 HydrophobicContact CB-CB 4.37Å; E953-L956 HydrophobicContact CB-CD1 4.05Å; E953-L956 HydrophobicContact CB-CG 4.26Å; E953-L956 PolarHBondContact O-N 2.9Å; L956-A960 WeakPolarHBondContact O-CB 3.37Å; L956-A960 PolarHBondContact O-N 3.4Å |
| 957 | W | 74.7 | Confident | 71.1 | Confident | 12 Ų | 12 | 74 Ų | 74 | 5% | 0.045 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 172.8 | -82.1 | 101.8 | 0 | 0 | 0 | 112.7 | V949 E953 P954 E955 A960 L961 V975 | V949-W957 HydrophobicContact CG2-CZ2 4.19Å; E953-W957 VanDerWaalsContact O-CD1 3.25Å; E953-W957 PolarHBondContact O-N 3.03Å; P954-W957 WeakPolarHBondContact O-CB 3.45Å; P954-W957 PolarHBondContact O-N 3.14Å; E955-W957 VanDerWaalsContact C-N 3.27Å; E955-W957 PolarHBondContact O-N 3.26Å; W957-A960 PolarHBondContact O-N 3.32Å; W957-L961 HydrophobicContact CE3-CD1 3.65Å; W957-L961 HydrophobicContact CE3-CD2 4.43Å; W957-L961 HydrophobicContact CE3-CG 3.94Å; W957-L961 HydrophobicContact CZ3-CD1 4.28Å; W957-L961 WeakPolarHBondContact O-CB 3.49Å; W957-L961 VanDerWaalsContact O-CG 3.28Å; W957-L961 WeakPolarHBondContact O-CG 2.93Å; W957-L961 PolarHBondContact O-N 3.32Å; W957-V975 HydrophobicContact CH2-CB 4.43Å; W957-V975 HydrophobicContact CH2-CG1 3.64Å; W957-V975 HydrophobicContact CH2-CG2 3.88Å; W957-V975 HydrophobicContact CZ3-CG1 4.16Å; W957-V975 HydrophobicContact CZ3-CG2 4.08Å |
| 958 | A | 71.1 | Confident | 70.8 | Confident | 66 Ų | 66 | 73.6 Ų | 73.6 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65 | -41 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P954 E955 S962 | P954-A958 PolarHBondContact O-N 3.16Å; E955-A958 PolarHBondContact O-N 3.15Å; E955-A958 VanDerWaalsContact O-N 3.13Å; A958-S962 PolarHBondContact O-N 3.28Å; A958-S962 VanDerWaalsContact O-N 3.11Å |
| 959 | E | 71.7 | Confident | 70.8 | Confident | 109 Ų | 109 | 81.8 Ų | 81.8 | 51% | 0.509 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67 | -45.9 | 176.4 | -168.7 | 172.3 | -174 | 0 | 0 | 111 | E955 S962 | E955-E959 PolarHBondContact O-N 2.86Å; E959-S962 WeakPolarHBondContact O-CB 3.47Å; E959-S962 PolarHBondContact O-N 3.23Å; E959-S962 PolarHBondContact O-OG 2.79Å |
| 960 | A | 67.4 | Low | 70.9 | Confident | 8 Ų | 8 | 85.8 Ų | 85.8 | 7% | 0.066 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -70.4 | -33.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L948 L956 W957 N965 L971 | L948-A960 HydrophobicContact CD1-CB 3.86Å; L956-A960 WeakPolarHBondContact O-CB 3.37Å; L956-A960 PolarHBondContact O-N 3.4Å; W957-A960 PolarHBondContact O-N 3.32Å; A960-N965 PolarHBondContact O-ND2 3.37Å; A960-L971 HydrophobicContact CB-CD2 3.57Å |
| 961 | L | 69.9 | Low | 71 | Confident | 16 Ų | 16 | 76.2 Ų | 76.2 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 3.4 | 177.1 | -64.9 | 176.6 | 0 | 0 | 0 | 113.9 | W957 R968 I972 A995 | W957-L961 HydrophobicContact CE3-CD1 3.65Å; W957-L961 HydrophobicContact CE3-CD2 4.43Å; W957-L961 HydrophobicContact CE3-CG 3.94Å; W957-L961 HydrophobicContact CZ3-CD1 4.28Å; W957-L961 WeakPolarHBondContact O-CB 3.49Å; W957-L961 VanDerWaalsContact O-CG 3.28Å; W957-L961 WeakPolarHBondContact O-CG 2.93Å; W957-L961 PolarHBondContact O-N 3.32Å; L961-R968 WeakPolarHBondContact O-CD 3.28Å; L961-R968 VanDerWaalsContact O-CZ 3.27Å; L961-R968 PolarHBondContact O-NE 2.88Å; L961-I972 HydrophobicContact CD2-CD1 3.91Å; L961-I972 HydrophobicContact CD2-CG1 3.61Å; L961-A995 HydrophobicContact CD1-CB 4.26Å |
| 962 | S | 70.8 | Confident | 70.8 | Confident | 32 Ų | 32 | 72.5 Ų | 72.5 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | trans | -59.2 | 143.3 | 178 | 66.4 | 0 | 0 | 0 | 0 | 111.6 | A958 E959 S964 N965 | A958-S962 PolarHBondContact O-N 3.28Å; A958-S962 VanDerWaalsContact O-N 3.11Å; E959-S962 WeakPolarHBondContact O-CB 3.47Å; E959-S962 PolarHBondContact O-N 3.23Å; E959-S962 PolarHBondContact O-OG 2.79Å; S962-S964 WeakPolarHBondContact CB-OG 3.39Å; S962-S964 PolarHBondContact O-N 3.05Å; S962-S964 VanDerWaalsContact O-N 3.13Å; S962-S964 PolarHBondContact OG-OG 3.37Å; S962-N965 PolarHBondContact O-N 3.04Å | ||
| 963 | E | 60.8 | Low | 71.1 | Confident | 177 Ų | 177 | 71 Ų | 71 | 83% | 0.827 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23.2 | 175.6 | -76.3 | -177.6 | 170.5 | 0 | 0 | 113.1 | N965 R968 | E963-N965 VanDerWaalsContact C-N 3.32Å; E963-N965 PolarHBondContact O-N 3.32Å; E963-R968 VanDerWaalsContact CG-NH1 3.32Å |
| 964 | S | 68.3 | Low | 71 | Confident | 108 Ų | 108 | 71.6 Ų | 71.6 | 76% | 0.755 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -20.1 | 175.7 | 39.7 | 0 | 0 | 0 | 0 | 114.5 | S962 S966 | S962-S964 WeakPolarHBondContact CB-OG 3.39Å; S962-S964 PolarHBondContact O-N 3.05Å; S962-S964 VanDerWaalsContact O-N 3.13Å; S962-S964 PolarHBondContact OG-OG 3.37Å; S964-S966 PolarHBondContact O-N 2.99Å |
| 965 | N | 65.2 | Low | 71.2 | Confident | 28 Ų | 28 | 67.3 Ų | 67.3 | 15% | 0.15 | 34% | 0.344 | C | S | . | . | trans | -77.1 | 106.6 | -178.1 | -174.7 | -3.3 | 0 | 0 | 0 | 110.4 | A960 S962 E963 Y967 R968 | A960-N965 PolarHBondContact O-ND2 3.37Å; S962-N965 PolarHBondContact O-N 3.04Å; E963-N965 VanDerWaalsContact C-N 3.32Å; E963-N965 PolarHBondContact O-N 3.32Å; N965-Y967 PolarHBondContact O-N 2.82Å; N965-Y967 VanDerWaalsContact O-N 3.1Å; N965-Y967 WeakPolarHBondContact OD1-CA 3.37Å; N965-Y967 WeakPolarHBondContact OD1-CB 3.22Å; N965-Y967 PolarHBondContact OD1-N 3.34Å; N965-R968 HydrophobicContact CB-CB 4.18Å; N965-R968 WeakPolarHBondContact O-CB 3.28Å; N965-R968 PolarHBondContact O-N 3.45Å | ||
| 966 | S | 69.6 | Low | 70.7 | Confident | 95 Ų | 95 | 63.7 Ų | 63.7 | 66% | 0.664 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.1 | 176.4 | 48.5 | 0 | 0 | 0 | 0 | 113.6 | S964 | S964-S966 PolarHBondContact O-N 2.99Š|
| 967 | Y | 69.7 | Low | 70.5 | Confident | 93 Ų | 93 | 69.1 Ų | 69.1 | 37% | 0.365 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 3.4 | 179.2 | -47.6 | -75.9 | 0 | 0 | 0 | 112.4 | F941 N965 R969 Q970 L971 | F941-Y967 AromaticContact CE1-CD1 3.97Å; F941-Y967 HydrophobicContact CE1-CD1 3.97Å; F941-Y967 HydrophobicContact CE1-CD2 4.42Å; F941-Y967 AromaticContact CE1-CG 3.84Å; F941-Y967 HydrophobicContact CE1-CG 3.84Å; F941-Y967 AromaticContact CZ-CD1 3.59Å; F941-Y967 HydrophobicContact CZ-CD1 3.59Å; F941-Y967 HydrophobicContact CZ-CE1 4.03Å; F941-Y967 AromaticContact CZ-CG 3.97Å; F941-Y967 HydrophobicContact CZ-CG 3.97Å; N965-Y967 PolarHBondContact O-N 2.82Å; N965-Y967 VanDerWaalsContact O-N 3.1Å; N965-Y967 WeakPolarHBondContact OD1-CA 3.37Å; N965-Y967 WeakPolarHBondContact OD1-CB 3.22Å; N965-Y967 PolarHBondContact OD1-N 3.34Å; Y967-R969 VanDerWaalsContact C-N 3.32Å; Y967-R969 PolarHBondContact O-N 3.2Å; Y967-Q970 PolarHBondContact O-N 3.42Å; Y967-L971 PolarHBondContact O-N 3.35Å |
| 968 | R | 72.4 | Confident | 69.8 | Low | 48 Ų | 48 | 70.8 Ų | 70.8 | 18% | 0.181 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -49.2 | -44.8 | -177.8 | 179 | -179.8 | 178.8 | -166.7 | 4.4 | 113.2 | L961 E963 N965 I972 | L961-R968 WeakPolarHBondContact O-CD 3.28Å; L961-R968 VanDerWaalsContact O-CZ 3.27Å; L961-R968 PolarHBondContact O-NE 2.88Å; E963-R968 VanDerWaalsContact CG-NH1 3.32Å; N965-R968 HydrophobicContact CB-CB 4.18Å; N965-R968 WeakPolarHBondContact O-CB 3.28Å; N965-R968 PolarHBondContact O-N 3.45Å; R968-I972 HydrophobicContact CG-CD1 3.65Å; R968-I972 HydrophobicContact CG-CG1 4.41Å; R968-I972 WeakPolarHBondContact O-CB 3.33Å; R968-I972 WeakPolarHBondContact O-CD1 3.29Å; R968-I972 WeakPolarHBondContact O-CG1 3.45Å; R968-I972 PolarHBondContact O-N 3.44Å |
| 969 | R | 74.5 | Confident | 69.1 | Low | 176 Ų | 176 | 68.3 Ų | 68.3 | 66% | 0.664 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -69.8 | -41.7 | -179.2 | -170.1 | 66.7 | -174.9 | -156.5 | -0.3 | 112.4 | Y967 L971 I972 D973 | Y967-R969 VanDerWaalsContact C-N 3.32Å; Y967-R969 PolarHBondContact O-N 3.2Å; R969-L971 VanDerWaalsContact C-N 3.27Å; R969-L971 PolarHBondContact O-N 3.03Å; R969-I972 PolarHBondContact O-N 3.05Å; R969-D973 IonicContact CZ-OD1 2.86Å; R969-D973 IonicContact NE-OD1 3.51Å; R969-D973 PolarHBondContact NE-OD1 2.92Å; R969-D973 IonicContact NE-OD2 2.68Å; R969-D973 WeakPolarHBondContact O-CB 3.43Å; R969-D973 VanDerWaalsContact O-CG 3.23Å; R969-D973 PolarHBondContact O-N 3.1Å |
| 970 | Q | 75.2 | Confident | 68.7 | Low | 103 Ų | 103 | 65.6 Ų | 65.6 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.4 | -35.2 | 179.1 | -65.2 | 163.3 | 3.5 | 0 | 0 | 110.9 | Y967 Q974 | Y967-Q970 PolarHBondContact O-N 3.42Å; Q970-Q974 VanDerWaalsContact O-CG 3.3Å; Q970-Q974 WeakPolarHBondContact O-CG 3.3Å; Q970-Q974 PolarHBondContact O-N 3.21Å |
| 971 | L | 73.4 | Confident | 68.4 | Low | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68 | -51.9 | 171.3 | -172.4 | 72.5 | 0 | 0 | 0 | 111.8 | A945 L948 A960 Y967 R969 D973 Q974 V975 | A945-L971 HydrophobicContact CB-CD1 4.3Å; L948-L971 HydrophobicContact CD1-CD1 4.01Å; L948-L971 HydrophobicContact CD1-CD2 3.89Å; L948-L971 HydrophobicContact CD1-CG 4.47Å; A960-L971 HydrophobicContact CB-CD2 3.57Å; Y967-L971 PolarHBondContact O-N 3.35Å; R969-L971 VanDerWaalsContact C-N 3.27Å; R969-L971 PolarHBondContact O-N 3.03Å; L971-D973 VanDerWaalsContact C-N 3.31Å; L971-D973 PolarHBondContact O-N 3.19Å; L971-Q974 CarbonylContact O-C 3.45Å; L971-Q974 PolarHBondContact O-N 2.77Å; L971-Q974 VanDerWaalsContact O-N 3.08Å; L971-V975 WeakPolarHBondContact O-CG2 3.45Å; L971-V975 PolarHBondContact O-N 3.13Å |
| 972 | I | 71.8 | Confident | 68.1 | Low | 24 Ų | 24 | 75.1 Ų | 75.1 | 12% | 0.123 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.7 | -42.4 | 179.5 | -70.8 | 167.3 | 0 | 0 | 0 | 111.5 | L961 R968 R969 Q974 V975 V976 | L961-I972 HydrophobicContact CD2-CD1 3.91Å; L961-I972 HydrophobicContact CD2-CG1 3.61Å; R968-I972 HydrophobicContact CG-CD1 3.65Å; R968-I972 HydrophobicContact CG-CG1 4.41Å; R968-I972 WeakPolarHBondContact O-CB 3.33Å; R968-I972 WeakPolarHBondContact O-CD1 3.29Å; R968-I972 WeakPolarHBondContact O-CG1 3.45Å; R968-I972 PolarHBondContact O-N 3.44Å; R969-I972 PolarHBondContact O-N 3.05Å; I972-Q974 VanDerWaalsContact C-N 3.32Å; I972-Q974 PolarHBondContact O-N 3.44Å; I972-V975 PolarHBondContact O-N 3.02Å; I972-V975 VanDerWaalsContact O-N 3.15Å; I972-V976 HydrophobicContact CG2-CG2 4.27Å; I972-V976 WeakPolarHBondContact O-CG2 3.44Å; I972-V976 PolarHBondContact O-N 3.44Å |
| 973 | D | 76.2 | Confident | 67.6 | Low | 60 Ų | 60 | 74.7 Ų | 74.7 | 32% | 0.321 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 177.9 | -70.1 | -18.5 | 0 | 0 | 0 | 110.8 | R969 L971 Q977 | R969-D973 IonicContact CZ-OD1 2.86Å; R969-D973 IonicContact NE-OD1 3.51Å; R969-D973 PolarHBondContact NE-OD1 2.92Å; R969-D973 IonicContact NE-OD2 2.68Å; R969-D973 WeakPolarHBondContact O-CB 3.43Å; R969-D973 VanDerWaalsContact O-CG 3.23Å; R969-D973 PolarHBondContact O-N 3.1Å; L971-D973 VanDerWaalsContact C-N 3.31Å; L971-D973 PolarHBondContact O-N 3.19Å; D973-Q977 WeakPolarHBondContact O-CB 3.34Å; D973-Q977 VanDerWaalsContact O-CG 3.3Å; D973-Q977 WeakPolarHBondContact O-CG 3.45Å; D973-Q977 PolarHBondContact O-N 2.79Å |
| 974 | Q | 74.7 | Confident | 67.2 | Low | 73 Ų | 73 | 75.4 Ų | 75.4 | 34% | 0.341 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71.2 | -28.7 | 174 | -66.7 | -58.7 | -36.3 | 0 | 0 | 113.2 | A945 Q970 L971 I972 T978 A979 | A945-Q974 HydrophobicContact CB-CB 4.4Å; Q970-Q974 VanDerWaalsContact O-CG 3.3Å; Q970-Q974 WeakPolarHBondContact O-CG 3.3Å; Q970-Q974 PolarHBondContact O-N 3.21Å; L971-Q974 CarbonylContact O-C 3.45Å; L971-Q974 PolarHBondContact O-N 2.77Å; L971-Q974 VanDerWaalsContact O-N 3.08Å; I972-Q974 VanDerWaalsContact C-N 3.32Å; I972-Q974 PolarHBondContact O-N 3.44Å; Q974-T978 WeakPolarHBondContact O-CA 3.3Å; Q974-T978 VanDerWaalsContact O-CB 3.29Å; Q974-T978 WeakPolarHBondContact O-CB 3.48Å; Q974-T978 PolarHBondContact O-N 3.09Å; Q974-T978 PolarHBondContact OE1-OG1 2.94Å; Q974-A979 PolarHBondContact O-N 3.49Å |
| 975 | V | 71.2 | Confident | 66.8 | Low | 3 Ų | 3 | 72.5 Ų | 72.5 | 2% | 0.018 | 37% | 0.365 | C | S | . | . | I | π-helix | trans | -68.6 | -50.6 | 173.5 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | W957 L971 I972 A979 L980 | W957-V975 HydrophobicContact CH2-CB 4.43Å; W957-V975 HydrophobicContact CH2-CG1 3.64Å; W957-V975 HydrophobicContact CH2-CG2 3.88Å; W957-V975 HydrophobicContact CZ3-CG1 4.16Å; W957-V975 HydrophobicContact CZ3-CG2 4.08Å; L971-V975 WeakPolarHBondContact O-CG2 3.45Å; L971-V975 PolarHBondContact O-N 3.13Å; I972-V975 PolarHBondContact O-N 3.02Å; I972-V975 VanDerWaalsContact O-N 3.15Å; V975-A979 PolarHBondContact O-N 3.47Å; V975-L980 HydrophobicContact CG1-CD1 3.95Å; V975-L980 HydrophobicContact CG1-CG 4.13Å; V975-L980 WeakPolarHBondContact O-CB 3.36Å; V975-L980 WeakPolarHBondContact O-CG 3.33Å; V975-L980 PolarHBondContact O-N 3.04Å |
| 976 | V | 66 | Low | 66.5 | Low | 85 Ų | 85 | 75.7 Ų | 75.7 | 52% | 0.515 | 39% | 0.388 | S | S | . | . | I | π-helix | trans | -72.2 | -35.4 | -177.6 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | I972 | I972-V976 HydrophobicContact CG2-CG2 4.27Å; I972-V976 WeakPolarHBondContact O-CG2 3.44Å; I972-V976 PolarHBondContact O-N 3.44Å |
| 977 | Q | 64.6 | Low | 66.3 | Low | 132 Ų | 132 | 77.4 Ų | 77.4 | 62% | 0.617 | 39% | 0.385 | S | S | * | . | I | π-helix | trans | -87.7 | -44.6 | -178.3 | -66.5 | -176.6 | 0.4 | 0 | 0 | 114.4 | D973 S981 | D973-Q977 WeakPolarHBondContact O-CB 3.34Å; D973-Q977 VanDerWaalsContact O-CG 3.3Å; D973-Q977 WeakPolarHBondContact O-CG 3.45Å; D973-Q977 PolarHBondContact O-N 2.79Å; Q977-S981 PolarHBondContact O-OG 3.4Å |
| 978 | T | 60.4 | Low | 66.3 | Low | 47 Ų | 47 | 74.8 Ų | 74.8 | 29% | 0.288 | 38% | 0.376 | S | S | . | . | I | π-helix | trans | -106.1 | -47.7 | -167.8 | -46.8 | 0 | 0 | 0 | 0 | 112.3 | Q974 S981 E982 | Q974-T978 WeakPolarHBondContact O-CA 3.3Å; Q974-T978 VanDerWaalsContact O-CB 3.29Å; Q974-T978 WeakPolarHBondContact O-CB 3.48Å; Q974-T978 PolarHBondContact O-N 3.09Å; Q974-T978 PolarHBondContact OE1-OG1 2.94Å; T978-S981 PolarHBondContact O-OG 3.19Å; T978-E982 WeakPolarHBondContact O-CG 3.36Å |
| 979 | A | 57.9 | Low | 65.9 | Low | 14 Ų | 14 | 76 Ų | 76 | 12% | 0.116 | 39% | 0.386 | C | S | . | . | I | π-helix | trans | -79.4 | -42.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V949 Q974 V975 E982 T983 | V949-A979 HydrophobicContact CG2-CB 3.69Å; Q974-A979 PolarHBondContact O-N 3.49Å; V975-A979 PolarHBondContact O-N 3.47Å; A979-E982 PolarHBondContact O-N 2.84Å; A979-T983 PolarHBondContact O-N 2.6Å; A979-T983 PolarHBondContact O-OG1 3.46Å; A979-T983 VanDerWaalsContact O-OG1 3.13Å |
| 980 | L | 62.9 | Low | 65.5 | Low | 52 Ų | 52 | 69.9 Ų | 69.9 | 27% | 0.272 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -19.5 | -178.7 | -70.5 | 173.9 | 0 | 0 | 0 | 114.3 | V975 | V975-L980 HydrophobicContact CG1-CD1 3.95Å; V975-L980 HydrophobicContact CG1-CG 4.13Å; V975-L980 WeakPolarHBondContact O-CB 3.36Å; V975-L980 WeakPolarHBondContact O-CG 3.33Å; V975-L980 PolarHBondContact O-N 3.04Å |
| 981 | S | 61.1 | Low | 65.4 | Low | 86 Ų | 86 | 67.1 Ų | 67.1 | 60% | 0.601 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -24.9 | 172.6 | 60.3 | 0 | 0 | 0 | 0 | 112.5 | Q977 T978 | Q977-S981 PolarHBondContact O-OG 3.4Å; T978-S981 PolarHBondContact O-OG 3.19Å |
| 982 | E | 63.7 | Low | 65.2 | Low | 138 Ų | 138 | 67.5 Ų | 67.5 | 65% | 0.645 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -82.8 | -13.9 | 173.2 | -70.1 | -179.5 | -177.9 | 0 | 0 | 112.6 | T978 A979 | T978-E982 WeakPolarHBondContact O-CG 3.36Å; A979-E982 PolarHBondContact O-N 2.84Å |
| 983 | T | 59.3 | Low | 65 | Low | 23 Ų | 23 | 67.8 Ų | 67.8 | 14% | 0.141 | 37% | 0.365 | C | S | . | . | trans | -95.8 | 130 | -175.4 | -72.3 | 0 | 0 | 0 | 0 | 112.4 | A979 D985 E988 | A979-T983 PolarHBondContact O-N 2.6Å; A979-T983 PolarHBondContact O-OG1 3.46Å; A979-T983 VanDerWaalsContact O-OG1 3.13Å; T983-D985 HydrophobicContact CG2-CB 4.14Å; T983-E988 WeakPolarHBondContact CB-OE2 3.32Å; T983-E988 HydrophobicContact CG2-CB 3.55Å; T983-E988 HydrophobicContact CG2-CG 4.23Å; T983-E988 WeakPolarHBondContact CG2-OE2 3.47Å; T983-E988 PolarHBondContact OG1-OE2 3.32Å | ||
| 984 | Q | 52.5 | Low | 64.8 | Low | 192 Ų | 192 | 71.3 Ų | 71.3 | 90% | 0.897 | 38% | 0.378 | S | S | * | . | trans | -114 | 10.2 | 168.9 | -63 | -159.9 | 0.7 | 0 | 0 | 113.3 | P986 | Q984-P986 WeakPolarHBondContact O-CD 3.37Š| ||
| 985 | D | 61.3 | Low | 64.7 | Low | 46 Ų | 46 | 68.7 Ų | 68.7 | 25% | 0.246 | 37% | 0.369 | C | S | . | . | trans | -87.8 | 117.4 | -175.4 | -172.8 | -4.9 | 0 | 0 | 0 | 111.3 | K952 T983 E987 E988 I989 | K952-D985 IonicContact NZ-OD2 2.76Å; K952-D985 PolarHBondContact NZ-OD2 2.9Å; T983-D985 HydrophobicContact CG2-CB 4.14Å; D985-E987 PolarHBondContact O-N 3.19Å; D985-E987 PolarHBondContact OD1-N 2.88Å; D985-E988 HydrophobicContact CB-CB 4.13Å; D985-E988 HydrophobicContact CB-CG 3.91Å; D985-E988 PolarHBondContact O-N 2.81Å; D985-I989 PolarHBondContact O-N 3.23Å | ||
| 986 | P | 58.4 | Low | 64.8 | Low | 96 Ų | 96 | 69.9 Ų | 69.9 | 62% | 0.623 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -58 | -28.1 | 176.5 | -22.7 | 32.9 | 0 | 0 | 0 | 113.5 | Q984 I989 S990 | Q984-P986 WeakPolarHBondContact O-CD 3.37Å; P986-I989 PolarHBondContact O-N 2.83Å; P986-S990 WeakPolarHBondContact O-CB 3.49Å; P986-S990 PolarHBondContact O-N 3.43Å |
| 987 | E | 65.8 | Low | 65 | Low | 130 Ų | 130 | 70.3 Ų | 70.3 | 61% | 0.607 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -69.5 | -43.7 | 178.5 | -70.9 | -168.1 | 167.7 | 0 | 0 | 111.2 | D985 I989 S990 V991 | D985-E987 PolarHBondContact O-N 3.19Å; D985-E987 PolarHBondContact OD1-N 2.88Å; E987-I989 VanDerWaalsContact C-N 3.26Å; E987-I989 PolarHBondContact O-N 3.46Å; E987-S990 PolarHBondContact O-N 2.87Å; E987-S990 VanDerWaalsContact O-N 3.14Å; E987-S990 PolarHBondContact O-OG 3.13Å; E987-V991 WeakPolarHBondContact O-CG2 3.38Å; E987-V991 PolarHBondContact O-N 3.29Å |
| 988 | E | 68.4 | Low | 65.3 | Low | 38 Ų | 38 | 68.3 Ų | 68.3 | 18% | 0.178 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.2 | -35.6 | 176.4 | -68.3 | 176.3 | -167.4 | 0 | 0 | 111.2 | K952 T983 D985 S992 | K952-E988 WeakPolarHBondContact CE-OE1 3.29Å; K952-E988 IonicContact NZ-OE1 3.26Å; K952-E988 PolarHBondContact NZ-OE1 2.99Å; T983-E988 WeakPolarHBondContact CB-OE2 3.32Å; T983-E988 HydrophobicContact CG2-CB 3.55Å; T983-E988 HydrophobicContact CG2-CG 4.23Å; T983-E988 WeakPolarHBondContact CG2-OE2 3.47Å; T983-E988 PolarHBondContact OG1-OE2 3.32Å; D985-E988 HydrophobicContact CB-CB 4.13Å; D985-E988 HydrophobicContact CB-CG 3.91Å; D985-E988 PolarHBondContact O-N 2.81Å; E988-S992 WeakPolarHBondContact O-CB 3.23Å; E988-S992 PolarHBondContact O-N 2.87Å; E988-S992 PolarHBondContact O-OG 3.49Å |
| 989 | I | 64.2 | Low | 65.8 | Low | 74 Ų | 74 | 67.9 Ų | 67.9 | 38% | 0.379 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.9 | -44 | 172.8 | -59.5 | 172.6 | 0 | 0 | 0 | 111.3 | D985 P986 E987 V991 S992 V993 | D985-I989 PolarHBondContact O-N 3.23Å; P986-I989 PolarHBondContact O-N 2.83Å; E987-I989 VanDerWaalsContact C-N 3.26Å; E987-I989 PolarHBondContact O-N 3.46Å; I989-V991 PolarHBondContact O-N 3.02Å; I989-S992 CarbonylContact O-C 2.99Å; I989-S992 WeakPolarHBondContact O-CB 3.35Å; I989-S992 PolarHBondContact O-N 3.3Å; I989-V993 HydrophobicContact CG2-CG2 4.18Å; I989-V993 VanDerWaalsContact O-CG2 3.31Å; I989-V993 WeakPolarHBondContact O-CG2 3.35Å; I989-V993 PolarHBondContact O-N 3.27Å |
| 990 | S | 66.5 | Low | 66.4 | Low | 48 Ų | 48 | 73.9 Ų | 73.9 | 34% | 0.336 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | -178 | 76.8 | 0 | 0 | 0 | 0 | 112.9 | P986 E987 S992 V993 K994 | P986-S990 WeakPolarHBondContact O-CB 3.49Å; P986-S990 PolarHBondContact O-N 3.43Å; E987-S990 PolarHBondContact O-N 2.87Å; E987-S990 VanDerWaalsContact O-N 3.14Å; E987-S990 PolarHBondContact O-OG 3.13Å; S990-S992 VanDerWaalsContact C-N 3.31Å; S990-V993 PolarHBondContact O-N 3.14Å; S990-K994 WeakPolarHBondContact O-CB 3.14Å; S990-K994 WeakPolarHBondContact O-CG 3.47Å; S990-K994 PolarHBondContact O-N 2.87Å |
| 991 | V | 72.9 | Confident | 66.7 | Low | 45 Ų | 45 | 72.5 Ų | 72.5 | 27% | 0.273 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.5 | -38.7 | 175.4 | 174 | 0 | 0 | 0 | 0 | 109.5 | E987 I989 K994 A995 | E987-V991 WeakPolarHBondContact O-CG2 3.38Å; E987-V991 PolarHBondContact O-N 3.29Å; I989-V991 PolarHBondContact O-N 3.02Å; V991-K994 PolarHBondContact O-N 3.38Å; V991-A995 WeakPolarHBondContact O-CB 3.5Å; V991-A995 PolarHBondContact O-N 3.34Å |
| 992 | S | 69.6 | Low | 66.9 | Low | 11 Ų | 11 | 71.5 Ų | 71.5 | 8% | 0.077 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.4 | -55.9 | 171.7 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | E988 I989 S990 K994 A995 F996 | E988-S992 WeakPolarHBondContact O-CB 3.23Å; E988-S992 PolarHBondContact O-N 2.87Å; E988-S992 PolarHBondContact O-OG 3.49Å; I989-S992 CarbonylContact O-C 2.99Å; I989-S992 WeakPolarHBondContact O-CB 3.35Å; I989-S992 PolarHBondContact O-N 3.3Å; S990-S992 VanDerWaalsContact C-N 3.31Å; S992-K994 VanDerWaalsContact C-N 3.27Å; S992-K994 PolarHBondContact O-N 3.01Å; S992-A995 WeakPolarHBondContact O-CA 3.38Å; S992-A995 WeakPolarHBondContact O-CB 3.21Å; S992-A995 PolarHBondContact O-N 3.47Å; S992-F996 VanDerWaalsContact O-CD2 3.26Å; S992-F996 WeakPolarHBondContact O-CD2 3.41Å; S992-F996 PolarHBondContact O-N 2.66Å |
| 993 | V | 67.8 | Low | 67.2 | Low | 30 Ų | 30 | 70.5 Ų | 70.5 | 18% | 0.182 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -55.7 | -41.2 | 178.9 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | I989 S990 F996 M997 L1005 L1008 | I989-V993 HydrophobicContact CG2-CG2 4.18Å; I989-V993 VanDerWaalsContact O-CG2 3.31Å; I989-V993 WeakPolarHBondContact O-CG2 3.35Å; I989-V993 PolarHBondContact O-N 3.27Å; S990-V993 PolarHBondContact O-N 3.14Å; V993-F996 PolarHBondContact O-N 3Å; V993-M997 HydrophobicContact CG1-CE 4.23Å; V993-M997 WeakPolarHBondContact O-CG 3.34Å; V993-M997 PolarHBondContact O-N 3.19Å; V993-L1005 HydrophobicContact CG1-CD1 4.04Å; V993-L1008 HydrophobicContact CB-CD2 4.44Å; V993-L1008 HydrophobicContact CG2-CD2 3.75Å |
| 994 | K | 71.6 | Confident | 67.6 | Low | 135 Ų | 135 | 73.4 Ų | 73.4 | 59% | 0.587 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.4 | -41.2 | 174.8 | -77.5 | 177.7 | -179.7 | 176.4 | 0 | 112.3 | S990 V991 S992 F996 M997 A998 | S990-K994 WeakPolarHBondContact O-CB 3.14Å; S990-K994 WeakPolarHBondContact O-CG 3.47Å; S990-K994 PolarHBondContact O-N 2.87Å; V991-K994 PolarHBondContact O-N 3.38Å; S992-K994 VanDerWaalsContact C-N 3.27Å; S992-K994 PolarHBondContact O-N 3.01Å; K994-F996 VanDerWaalsContact C-N 3.31Å; K994-F996 PolarHBondContact O-N 3.01Å; K994-M997 HydrophobicContact CG-CE 3.98Å; K994-M997 PolarHBondContact O-N 3.34Å; K994-A998 VanDerWaalsContact O-CB 3.27Å; K994-A998 WeakPolarHBondContact O-CB 3.48Å; K994-A998 PolarHBondContact O-N 2.8Å |
| 995 | A | 73.1 | Confident | 68.3 | Low | 18 Ų | 18 | 65.4 Ų | 65.4 | 15% | 0.149 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63 | -38.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L961 V991 S992 A998 A999 | L961-A995 HydrophobicContact CD1-CB 4.26Å; V991-A995 WeakPolarHBondContact O-CB 3.5Å; V991-A995 PolarHBondContact O-N 3.34Å; S992-A995 WeakPolarHBondContact O-CA 3.38Å; S992-A995 WeakPolarHBondContact O-CB 3.21Å; S992-A995 PolarHBondContact O-N 3.47Å; A995-A998 PolarHBondContact O-N 3.04Å; A995-A999 VanDerWaalsContact O-CB 3.26Å; A995-A999 WeakPolarHBondContact O-CB 3.49Å; A995-A999 PolarHBondContact O-N 2.93Å |
| 996 | F | 73.7 | Confident | 68.6 | Low | 28 Ų | 28 | 66.1 Ų | 66.1 | 12% | 0.123 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.7 | -40.2 | 174.3 | -81.5 | -103.5 | 0 | 0 | 0 | 112.8 | S992 V993 K994 A999 D1000 M1001 E1004 | S992-F996 VanDerWaalsContact O-CD2 3.26Å; S992-F996 WeakPolarHBondContact O-CD2 3.41Å; S992-F996 PolarHBondContact O-N 2.66Å; V993-F996 PolarHBondContact O-N 3Å; K994-F996 VanDerWaalsContact C-N 3.31Å; K994-F996 PolarHBondContact O-N 3.01Å; F996-A999 PolarHBondContact O-N 2.96Å; F996-D1000 PolarHBondContact O-N 2.87Å; F996-M1001 HydrophobicContact CB-CE 4.33Å; F996-M1001 HydrophobicContact CD1-CE 3.29Å; F996-M1001 HydrophobicContact CE1-CE 3.66Å; F996-M1001 HydrophobicContact CG-CE 3.87Å; F996-M1001 PolarHBondContact O-N 2.8Å; F996-E1004 HydrophobicContact CD1-CB 4.37Å |
| 997 | M | 68.2 | Low | 69.2 | Low | 93 Ų | 93 | 68.3 Ų | 68.3 | 46% | 0.458 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 173.2 | -75.1 | -169.7 | -63.4 | 0 | 0 | 112 | V993 K994 A999 D1000 L1005 | V993-M997 HydrophobicContact CG1-CE 4.23Å; V993-M997 WeakPolarHBondContact O-CG 3.34Å; V993-M997 PolarHBondContact O-N 3.19Å; K994-M997 HydrophobicContact CG-CE 3.98Å; K994-M997 PolarHBondContact O-N 3.34Å; M997-A999 VanDerWaalsContact C-N 3.26Å; M997-A999 PolarHBondContact O-N 2.78Å; M997-D1000 PolarHBondContact O-N 2.7Å; M997-D1000 VanDerWaalsContact O-N 3.15Å; M997-L1005 HydrophobicContact CG-CD1 3.9Å; M997-L1005 HydrophobicContact CG-CD2 3.71Å; M997-L1005 HydrophobicContact CG-CG 4.48Å; M997-L1005 HydrophobicContact SD-CD2 4.48Å |
| 998 | A | 72.7 | Confident | 69.4 | Low | 90 Ų | 90 | 64.9 Ų | 64.9 | 74% | 0.744 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -67.9 | -29.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K994 A995 D1000 | K994-A998 VanDerWaalsContact O-CB 3.27Å; K994-A998 WeakPolarHBondContact O-CB 3.48Å; K994-A998 PolarHBondContact O-N 2.8Å; A995-A998 PolarHBondContact O-N 3.04Å; A998-D1000 PolarHBondContact O-N 2.78Å |
| 999 | A | 70.6 | Confident | 69.4 | Low | 39 Ų | 39 | 64.8 Ų | 64.8 | 32% | 0.322 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 4.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A995 F996 M997 M1001 | A995-A999 VanDerWaalsContact O-CB 3.26Å; A995-A999 WeakPolarHBondContact O-CB 3.49Å; A995-A999 PolarHBondContact O-N 2.93Å; F996-A999 PolarHBondContact O-N 2.96Å; M997-A999 VanDerWaalsContact C-N 3.26Å; M997-A999 PolarHBondContact O-N 2.78Å; A999-M1001 HydrophobicContact CB-CE 3.74Å; A999-M1001 HydrophobicContact CB-CG 4.19Å; A999-M1001 HydrophobicContact CB-SD 4.46Å; A999-M1001 WeakPolarHBondContact O-CG 3.39Å; A999-M1001 PolarHBondContact O-N 2.92Å |
| 1000 | D | 71 | Confident | 69.7 | Low | 139 Ų | 139 | 65.9 Ų | 65.9 | 74% | 0.743 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 49.9 | 176.5 | -154.2 | 21.9 | 0 | 0 | 0 | 114 | F996 M997 A998 P1002 | F996-D1000 PolarHBondContact O-N 2.87Å; M997-D1000 PolarHBondContact O-N 2.7Å; M997-D1000 VanDerWaalsContact O-N 3.15Å; A998-D1000 PolarHBondContact O-N 2.78Å; D1000-P1002 WeakPolarHBondContact O-CD 3.33Å |
| 1001 | M | 69.1 | Low | 69.6 | Low | 24 Ų | 24 | 71 Ų | 71 | 12% | 0.118 | 38% | 0.378 | C | S | . | . | trans | -107.9 | 73.5 | -179.1 | -62.1 | -167.9 | -72.2 | 0 | 0 | 110.9 | F996 A999 N1003 E1004 L1005 | F996-M1001 HydrophobicContact CB-CE 4.33Å; F996-M1001 HydrophobicContact CD1-CE 3.29Å; F996-M1001 HydrophobicContact CE1-CE 3.66Å; F996-M1001 HydrophobicContact CG-CE 3.87Å; F996-M1001 PolarHBondContact O-N 2.8Å; A999-M1001 HydrophobicContact CB-CE 3.74Å; A999-M1001 HydrophobicContact CB-CG 4.19Å; A999-M1001 HydrophobicContact CB-SD 4.46Å; A999-M1001 WeakPolarHBondContact O-CG 3.39Å; A999-M1001 PolarHBondContact O-N 2.92Å; M1001-N1003 PolarHBondContact O-N 2.98Å; M1001-E1004 HydrophobicContact CB-CB 4.01Å; M1001-E1004 HydrophobicContact CB-CG 4.25Å; M1001-E1004 WeakPolarHBondContact CB-OE2 3.48Å; M1001-L1005 WeakPolarHBondContact O-CB 3.45Å; M1001-L1005 PolarHBondContact O-N 3.24Å | ||
| 1002 | P | 65.1 | Low | 69.3 | Low | 64 Ų | 64 | 70.9 Ų | 70.9 | 42% | 0.416 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.9 | -27.7 | -170 | 28 | -36.2 | 0 | 0 | 0 | 113.7 | D1000 I1006 | D1000-P1002 WeakPolarHBondContact O-CD 3.33Å; P1002-I1006 WeakPolarHBondContact O-CB 3.07Å; P1002-I1006 WeakPolarHBondContact O-CD1 3.28Å; P1002-I1006 WeakPolarHBondContact O-CG1 3.26Å; P1002-I1006 PolarHBondContact O-N 2.67Å |
| 1003 | N | 68.6 | Low | 68.8 | Low | 117 Ų | 117 | 71.3 Ų | 71.3 | 63% | 0.626 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -74.9 | -43.6 | 178.2 | -66.5 | -36.4 | 0 | 0 | 0 | 110.5 | M1001 L1005 I1006 E1007 | M1001-N1003 PolarHBondContact O-N 2.98Å; N1003-L1005 PolarHBondContact O-N 3.08Å; N1003-I1006 PolarHBondContact O-N 2.98Å; N1003-E1007 WeakPolarHBondContact O-CB 3.18Å; N1003-E1007 PolarHBondContact O-N 3.15Å |
| 1004 | E | 68.5 | Low | 68.5 | Low | 85 Ų | 85 | 75.5 Ų | 75.5 | 40% | 0.397 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.7 | -30.2 | 174.2 | -60.3 | 74.2 | -173.4 | 0 | 0 | 110.5 | F996 M1001 L1008 | F996-E1004 HydrophobicContact CD1-CB 4.37Å; M1001-E1004 HydrophobicContact CB-CB 4.01Å; M1001-E1004 HydrophobicContact CB-CG 4.25Å; M1001-E1004 WeakPolarHBondContact CB-OE2 3.48Å; E1004-L1008 WeakPolarHBondContact O-CB 3.47Å; E1004-L1008 PolarHBondContact O-N 3.4Å |
| 1005 | L | 66.8 | Low | 67.6 | Low | 23 Ų | 23 | 74.2 Ų | 74.2 | 12% | 0.12 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -75.7 | -39.6 | 172.4 | -171.1 | 71.9 | 0 | 0 | 0 | 112.7 | V993 M997 M1001 N1003 L1008 L1009 | V993-L1005 HydrophobicContact CG1-CD1 4.04Å; M997-L1005 HydrophobicContact CG-CD1 3.9Å; M997-L1005 HydrophobicContact CG-CD2 3.71Å; M997-L1005 HydrophobicContact CG-CG 4.48Å; M997-L1005 HydrophobicContact SD-CD2 4.48Å; M1001-L1005 WeakPolarHBondContact O-CB 3.45Å; M1001-L1005 PolarHBondContact O-N 3.24Å; N1003-L1005 PolarHBondContact O-N 3.08Å; L1005-L1008 HydrophobicContact CD1-CD2 4.24Å; L1005-L1008 PolarHBondContact O-N 2.86Å; L1005-L1009 HydrophobicContact CD2-CD1 4.44Å; L1005-L1009 HydrophobicContact CG-CD1 3.97Å; L1005-L1009 HydrophobicContact CG-CG 4.37Å; L1005-L1009 VanDerWaalsContact O-CB 3.25Å; L1005-L1009 WeakPolarHBondContact O-CB 3.35Å; L1005-L1009 WeakPolarHBondContact O-CG 3.29Å; L1005-L1009 PolarHBondContact O-N 3.13Å |
| 1006 | I | 68.2 | Low | 66.3 | Low | 62 Ų | 62 | 81.4 Ų | 81.4 | 32% | 0.318 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 171.4 | -71.6 | 164.4 | 0 | 0 | 0 | 109.4 | P1002 N1003 L1008 L1009 E1010 | P1002-I1006 WeakPolarHBondContact O-CB 3.07Å; P1002-I1006 WeakPolarHBondContact O-CD1 3.28Å; P1002-I1006 WeakPolarHBondContact O-CG1 3.26Å; P1002-I1006 PolarHBondContact O-N 2.67Å; N1003-I1006 PolarHBondContact O-N 2.98Å; I1006-L1008 VanDerWaalsContact C-N 3.3Å; I1006-L1008 PolarHBondContact O-N 2.82Å; I1006-L1009 PolarHBondContact O-N 2.89Å; I1006-L1009 VanDerWaalsContact O-N 3.15Å; I1006-E1010 HydrophobicContact CG2-CG 3.97Å; I1006-E1010 WeakPolarHBondContact O-CB 3.34Å; I1006-E1010 WeakPolarHBondContact O-CG 3.45Å; I1006-E1010 PolarHBondContact O-N 2.84Å |
| 1007 | E | 70.2 | Confident | 65.6 | Low | 142 Ų | 142 | 81.9 Ų | 81.9 | 66% | 0.664 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.7 | -36 | 177 | -163.3 | 177 | -165.3 | 0 | 0 | 111.7 | N1003 K1011 | N1003-E1007 WeakPolarHBondContact O-CB 3.18Å; N1003-E1007 PolarHBondContact O-N 3.15Å; E1007-K1011 WeakPolarHBondContact O-CB 3.39Å |
| 1008 | L | 70 | Confident | 65.2 | Low | 58 Ų | 58 | 84.2 Ų | 84.2 | 30% | 0.304 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.5 | -45.6 | 170.2 | -172.4 | 70.8 | 0 | 0 | 0 | 112 | V993 E1004 L1005 I1006 I1012 | V993-L1008 HydrophobicContact CB-CD2 4.44Å; V993-L1008 HydrophobicContact CG2-CD2 3.75Å; E1004-L1008 WeakPolarHBondContact O-CB 3.47Å; E1004-L1008 PolarHBondContact O-N 3.4Å; L1005-L1008 HydrophobicContact CD1-CD2 4.24Å; L1005-L1008 PolarHBondContact O-N 2.86Å; I1006-L1008 VanDerWaalsContact C-N 3.3Å; I1006-L1008 PolarHBondContact O-N 2.82Å; L1008-I1012 HydrophobicContact CD1-CD1 4.19Å; L1008-I1012 HydrophobicContact CG-CD1 3.97Å; L1008-I1012 WeakPolarHBondContact O-CB 3.49Å; L1008-I1012 WeakPolarHBondContact O-CD1 3.23Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.46Å; L1008-I1012 PolarHBondContact O-N 3.38Å |
| 1009 | L | 68.3 | Low | 64.5 | Low | 35 Ų | 35 | 85 Ų | 85 | 18% | 0.183 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -78.1 | -35.7 | -174.2 | -74 | 173.9 | 0 | 0 | 0 | 113.8 | L1005 I1006 I1012 V1013 L1025 L1028 | L1005-L1009 HydrophobicContact CD2-CD1 4.44Å; L1005-L1009 HydrophobicContact CG-CD1 3.97Å; L1005-L1009 HydrophobicContact CG-CG 4.37Å; L1005-L1009 VanDerWaalsContact O-CB 3.25Å; L1005-L1009 WeakPolarHBondContact O-CB 3.35Å; L1005-L1009 WeakPolarHBondContact O-CG 3.29Å; L1005-L1009 PolarHBondContact O-N 3.13Å; I1006-L1009 PolarHBondContact O-N 2.89Å; I1006-L1009 VanDerWaalsContact O-N 3.15Å; L1009-I1012 CarbonylContact O-C 3.53Å; L1009-I1012 PolarHBondContact O-N 3.05Å; L1009-V1013 WeakPolarHBondContact O-CB 3.24Å; L1009-V1013 WeakPolarHBondContact O-CG2 3.24Å; L1009-V1013 PolarHBondContact O-N 3.37Å; L1009-L1025 HydrophobicContact CD2-CD2 4.43Å; L1009-L1028 HydrophobicContact CD1-CD2 4.01Å |
| 1010 | E | 71.7 | Confident | 63.7 | Low | 97 Ų | 97 | 84.9 Ų | 84.9 | 45% | 0.453 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 174.2 | -73.1 | -172.8 | 155.6 | 0 | 0 | 110.6 | I1006 I1012 V1013 L1014 D1015 | I1006-E1010 HydrophobicContact CG2-CG 3.97Å; I1006-E1010 WeakPolarHBondContact O-CB 3.34Å; I1006-E1010 WeakPolarHBondContact O-CG 3.45Å; I1006-E1010 PolarHBondContact O-N 2.84Å; E1010-I1012 PolarHBondContact O-N 3.46Å; E1010-V1013 PolarHBondContact O-N 3.4Å; E1010-L1014 HydrophobicContact CB-CD1 4.34Å; E1010-L1014 HydrophobicContact CG-CD1 4.05Å; E1010-L1014 PolarHBondContact O-N 3.48Å; E1010-D1015 PolarHBondContact O-N 2.88Å |
| 1011 | K | 63.8 | Low | 62.9 | Low | 157 Ų | 157 | 85.4 Ų | 85.4 | 68% | 0.683 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.3 | -18.2 | 175.9 | -162 | 170.1 | -176.2 | 176.4 | 0 | 113.1 | E1007 | E1007-K1011 WeakPolarHBondContact O-CB 3.39Å |
| 1012 | I | 65.8 | Low | 62.6 | Low | 41 Ų | 41 | 88.5 Ų | 88.5 | 21% | 0.21 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -99.7 | -37.4 | 178.6 | -67.6 | 168.9 | 0 | 0 | 0 | 112.6 | L1008 L1009 E1010 S1017 F1019 | L1008-I1012 HydrophobicContact CD1-CD1 4.19Å; L1008-I1012 HydrophobicContact CG-CD1 3.97Å; L1008-I1012 WeakPolarHBondContact O-CB 3.49Å; L1008-I1012 WeakPolarHBondContact O-CD1 3.23Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.46Å; L1008-I1012 PolarHBondContact O-N 3.38Å; L1009-I1012 CarbonylContact O-C 3.53Å; L1009-I1012 PolarHBondContact O-N 3.05Å; E1010-I1012 PolarHBondContact O-N 3.46Å; I1012-S1017 WeakPolarHBondContact O-CB 3.23Å; I1012-S1017 PolarHBondContact O-OG 2.77Å; I1012-F1019 HydrophobicContact CG2-CB 3.89Å; I1012-F1019 HydrophobicContact CG2-CD2 3.83Å; I1012-F1019 HydrophobicContact CG2-CG 4.13Å |
| 1013 | V | 60.5 | Low | 62.6 | Low | 21 Ų | 21 | 92.6 Ų | 92.6 | 13% | 0.127 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -104 | -32.2 | -169 | -179.9 | 0 | 0 | 0 | 0 | 113.8 | L1009 E1010 L1025 | L1009-V1013 WeakPolarHBondContact O-CB 3.24Å; L1009-V1013 WeakPolarHBondContact O-CG2 3.24Å; L1009-V1013 PolarHBondContact O-N 3.37Å; E1010-V1013 PolarHBondContact O-N 3.4Å; V1013-L1025 HydrophobicContact CG1-CB 4.5Å; V1013-L1025 HydrophobicContact CG2-CB 3.89Å; V1013-L1025 HydrophobicContact CG2-CD1 3.77Å; V1013-L1025 HydrophobicContact CG2-CG 4.31Å |
| 1014 | L | 60.6 | Low | 62.5 | Low | 118 Ų | 118 | 91.8 Ų | 91.8 | 62% | 0.618 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -34.5 | -177.4 | -72.4 | 168.1 | 0 | 0 | 0 | 113.2 | E1010 | E1010-L1014 HydrophobicContact CB-CD1 4.34Å; E1010-L1014 HydrophobicContact CG-CD1 4.05Å; E1010-L1014 PolarHBondContact O-N 3.48Å |
| 1015 | D | 54.1 | Low | 62.5 | Low | 107 Ų | 107 | 89.7 Ų | 89.7 | 57% | 0.572 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -74.6 | 144.6 | 167 | -83.2 | -22.3 | 0 | 0 | 0 | 109.6 | E1010 S1017 | E1010-D1015 PolarHBondContact O-N 2.88Å; D1015-S1017 PolarHBondContact O-N 2.88Å |
| 1016 | N | 45.8 | Very low | 62.6 | Low | 169 Ų | 169 | 91 Ų | 91 | 90% | 0.904 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -62.9 | 67.7 | -178.2 | -90.2 | -17.9 | 0 | 0 | 0 | 112.5 | ||
| 1017 | S | 57.8 | Low | 62.6 | Low | 38 Ų | 38 | 90.7 Ų | 90.7 | 27% | 0.266 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -93.5 | 170.8 | 167.5 | 103.2 | 0 | 0 | 0 | 0 | 108.5 | I1012 D1015 F1019 | I1012-S1017 WeakPolarHBondContact O-CB 3.23Å; I1012-S1017 PolarHBondContact O-OG 2.77Å; D1015-S1017 PolarHBondContact O-N 2.88Å; S1017-F1019 PolarHBondContact O-N 2.97Å; S1017-F1019 WeakPolarHBondContact OG-CD2 3.38Å; S1017-F1019 PolarHBondContact OG-N 2.83Å; S1017-F1019 VanDerWaalsContact OG-N 3.16Å |
| 1018 | V | 59.7 | Low | 62.8 | Low | 143 Ų | 143 | 87.4 Ų | 87.4 | 87% | 0.867 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 4.1 | -179.8 | -149.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1019 | F | 58.6 | Low | 62.8 | Low | 105 Ų | 105 | 88 Ų | 88 | 46% | 0.461 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 10 | -169.5 | -55.7 | -70.5 | 0 | 0 | 0 | 115.8 | I1012 S1017 L1025 | I1012-F1019 HydrophobicContact CG2-CB 3.89Å; I1012-F1019 HydrophobicContact CG2-CD2 3.83Å; I1012-F1019 HydrophobicContact CG2-CG 4.13Å; S1017-F1019 PolarHBondContact O-N 2.97Å; S1017-F1019 WeakPolarHBondContact OG-CD2 3.38Å; S1017-F1019 PolarHBondContact OG-N 2.83Å; S1017-F1019 VanDerWaalsContact OG-N 3.16Å; F1019-L1025 HydrophobicContact CB-CD1 4.18Å |
| 1020 | S | 53.9 | Low | 62.9 | Low | 38 Ų | 38 | 87.2 Ų | 87.2 | 27% | 0.266 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -35.1 | -171.2 | 55.5 | 0 | 0 | 0 | 0 | 117.1 | H1022 | S1020-H1022 VanDerWaalsContact C-N 3.26Å; S1020-H1022 PolarHBondContact O-N 3.33Å |
| 1021 | D | 54.1 | Low | 62.7 | Low | 149 Ų | 149 | 86.8 Ų | 86.8 | 80% | 0.797 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 13.8 | -176 | -70.9 | -32.9 | 0 | 0 | 0 | 114.2 | R1023 | D1021-R1023 PolarHBondContact O-N 3.43Š|
| 1022 | H | 63.4 | Low | 62.9 | Low | 89 Ų | 89 | 81.7 Ų | 81.7 | 41% | 0.412 | 43% | 0.427 | S | S | . | . | trans | -83.2 | 107.7 | -167.5 | -159.8 | -86.5 | 0 | 0 | 0 | 112.2 | S1020 N1024 L1025 Q1026 | S1020-H1022 VanDerWaalsContact C-N 3.26Å; S1020-H1022 PolarHBondContact O-N 3.33Å; H1022-N1024 PolarHBondContact ND1-N 3.33Å; H1022-N1024 PolarHBondContact O-N 2.89Å; H1022-L1025 HydrophobicContact CB-CB 4.15Å; H1022-L1025 HydrophobicContact CB-CD1 3.9Å; H1022-L1025 HydrophobicContact CB-CG 4.01Å; H1022-L1025 PolarHBondContact O-N 3.29Å; H1022-Q1026 PolarHBondContact O-N 2.83Å | ||
| 1023 | R | 65.1 | Low | 62.9 | Low | 151 Ų | 151 | 80.2 Ų | 80.2 | 57% | 0.57 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -44.5 | -39.2 | 178.5 | -169.1 | 179.2 | -167.6 | -177.7 | -0.3 | 113.6 | D1021 N1027 | D1021-R1023 PolarHBondContact O-N 3.43Å; R1023-N1027 WeakPolarHBondContact O-CB 3.35Å; R1023-N1027 PolarHBondContact O-N 2.81Å; R1023-N1027 PolarHBondContact O-ND2 2.82Å; R1023-N1027 PolarHBondContact O-OD1 3.17Å |
| 1024 | N | 65.6 | Low | 63.1 | Low | 100 Ų | 100 | 80.3 Ų | 80.3 | 54% | 0.535 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -76.2 | -31.8 | -179.9 | -60.4 | -18.7 | 0 | 0 | 0 | 113.1 | H1022 L1028 | H1022-N1024 PolarHBondContact ND1-N 3.33Å; H1022-N1024 PolarHBondContact O-N 2.89Å; N1024-L1028 WeakPolarHBondContact O-CB 3.44Å; N1024-L1028 PolarHBondContact O-N 2.93Å |
| 1025 | L | 69 | Low | 63.3 | Low | 41 Ų | 41 | 83.7 Ų | 83.7 | 22% | 0.215 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -76.3 | -32.6 | 176.2 | -62.2 | 176.8 | 0 | 0 | 0 | 110.2 | L1009 V1013 F1019 H1022 L1028 L1029 | L1009-L1025 HydrophobicContact CD2-CD2 4.43Å; V1013-L1025 HydrophobicContact CG1-CB 4.5Å; V1013-L1025 HydrophobicContact CG2-CB 3.89Å; V1013-L1025 HydrophobicContact CG2-CD1 3.77Å; V1013-L1025 HydrophobicContact CG2-CG 4.31Å; F1019-L1025 HydrophobicContact CB-CD1 4.18Å; H1022-L1025 HydrophobicContact CB-CB 4.15Å; H1022-L1025 HydrophobicContact CB-CD1 3.9Å; H1022-L1025 HydrophobicContact CB-CG 4.01Å; H1022-L1025 PolarHBondContact O-N 3.29Å; L1025-L1028 PolarHBondContact O-N 2.87Å; L1025-L1029 WeakPolarHBondContact O-CB 3.37Å; L1025-L1029 PolarHBondContact O-N 3.01Å |
| 1026 | Q | 67.8 | Low | 63.8 | Low | 50 Ų | 50 | 82.2 Ų | 82.2 | 23% | 0.234 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 170.1 | -65.8 | -175.8 | 11.6 | 0 | 0 | 112 | H1022 L1029 I1030 | H1022-Q1026 PolarHBondContact O-N 2.83Å; Q1026-L1029 PolarHBondContact O-N 2.83Å; Q1026-I1030 WeakPolarHBondContact O-CG1 3.45Å; Q1026-I1030 PolarHBondContact O-N 2.62Å |
| 1027 | N | 68.8 | Low | 64.6 | Low | 55 Ų | 55 | 77 Ų | 77 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 170 | -73.4 | -10.2 | 0 | 0 | 0 | 110.9 | R1023 L1029 I1030 L1031 | R1023-N1027 WeakPolarHBondContact O-CB 3.35Å; R1023-N1027 PolarHBondContact O-N 2.81Å; R1023-N1027 PolarHBondContact O-ND2 2.82Å; R1023-N1027 PolarHBondContact O-OD1 3.17Å; N1027-L1029 PolarHBondContact O-N 2.96Å; N1027-I1030 PolarHBondContact O-N 3.43Å; N1027-L1031 HydrophobicContact CB-CD1 4.46Å; N1027-L1031 WeakPolarHBondContact O-CB 3.28Å; N1027-L1031 WeakPolarHBondContact O-CD1 3.27Å; N1027-L1031 WeakPolarHBondContact O-CG 3.39Å; N1027-L1031 PolarHBondContact O-N 2.99Å |
| 1028 | L | 73.3 | Confident | 64.9 | Low | 74 Ų | 74 | 81.7 Ų | 81.7 | 39% | 0.387 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.3 | -36.5 | 177.6 | -137.2 | 101.5 | 0 | 0 | 0 | 110.7 | L1009 N1024 L1025 T1032 | L1009-L1028 HydrophobicContact CD1-CD2 4.01Å; N1024-L1028 WeakPolarHBondContact O-CB 3.44Å; N1024-L1028 PolarHBondContact O-N 2.93Å; L1025-L1028 PolarHBondContact O-N 2.87Å; L1028-T1032 WeakPolarHBondContact O-CB 3.47Å; L1028-T1032 PolarHBondContact O-N 3.24Å; L1028-T1032 PolarHBondContact O-OG1 3.34Å |
| 1029 | L | 71.7 | Confident | 65.1 | Low | 70 Ų | 70 | 79.4 Ų | 79.4 | 37% | 0.366 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.7 | -50.4 | 176 | -173.1 | 67.7 | 0 | 0 | 0 | 111.9 | L1025 Q1026 N1027 L1031 T1032 A1033 | L1025-L1029 WeakPolarHBondContact O-CB 3.37Å; L1025-L1029 PolarHBondContact O-N 3.01Å; Q1026-L1029 PolarHBondContact O-N 2.83Å; N1027-L1029 PolarHBondContact O-N 2.96Å; L1029-L1031 VanDerWaalsContact C-N 3.29Å; L1029-L1031 PolarHBondContact O-N 3.17Å; L1029-T1032 PolarHBondContact O-N 3.34Å; L1029-A1033 WeakPolarHBondContact O-CB 3.26Å; L1029-A1033 PolarHBondContact O-N 3.4Å |
| 1030 | I | 69.5 | Low | 65.4 | Low | 19 Ų | 19 | 79.9 Ų | 79.9 | 10% | 0.097 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 177 | -63.1 | 170.2 | 0 | 0 | 0 | 110 | Q1026 N1027 A1033 I1034 L1048 | Q1026-I1030 WeakPolarHBondContact O-CG1 3.45Å; Q1026-I1030 PolarHBondContact O-N 2.62Å; N1027-I1030 PolarHBondContact O-N 3.43Å; I1030-A1033 PolarHBondContact O-N 3.37Å; I1030-I1034 HydrophobicContact CG2-CD1 3.73Å; I1030-I1034 HydrophobicContact CG2-CG1 4.3Å; I1030-I1034 WeakPolarHBondContact O-CB 3.49Å; I1030-I1034 WeakPolarHBondContact O-CG1 3.23Å; I1030-I1034 PolarHBondContact O-N 2.98Å; I1030-L1048 HydrophobicContact CD1-CD1 3.51Å; I1030-L1048 HydrophobicContact CG1-CD1 3.59Å |
| 1031 | L | 67.9 | Low | 65.9 | Low | 87 Ų | 87 | 78.6 Ų | 78.6 | 46% | 0.455 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -72.9 | -42.5 | -177.8 | -67.8 | 170.3 | 0 | 0 | 0 | 112.3 | N1027 L1029 A1033 I1034 K1035 I1059 | N1027-L1031 HydrophobicContact CB-CD1 4.46Å; N1027-L1031 WeakPolarHBondContact O-CB 3.28Å; N1027-L1031 WeakPolarHBondContact O-CD1 3.27Å; N1027-L1031 WeakPolarHBondContact O-CG 3.39Å; N1027-L1031 PolarHBondContact O-N 2.99Å; L1029-L1031 VanDerWaalsContact C-N 3.29Å; L1029-L1031 PolarHBondContact O-N 3.17Å; L1031-A1033 PolarHBondContact O-N 2.81Å; L1031-I1034 HydrophobicContact CD2-CD1 4.49Å; L1031-I1034 PolarHBondContact O-N 2.91Å; L1031-K1035 WeakPolarHBondContact O-CB 3.34Å; L1031-K1035 PolarHBondContact O-N 2.88Å; L1031-K1035 VanDerWaalsContact O-N 3.1Å; L1031-I1059 HydrophobicContact CD2-CD1 4.46Å |
| 1032 | T | 68.7 | Low | 66.1 | Low | 50 Ų | 50 | 76.2 Ų | 76.2 | 31% | 0.307 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.4 | -32.7 | 175.3 | -50.2 | 0 | 0 | 0 | 0 | 109.8 | L1028 L1029 K1035 A1036 | L1028-T1032 WeakPolarHBondContact O-CB 3.47Å; L1028-T1032 PolarHBondContact O-N 3.24Å; L1028-T1032 PolarHBondContact O-OG1 3.34Å; L1029-T1032 PolarHBondContact O-N 3.34Å; T1032-K1035 PolarHBondContact O-N 3.47Å; T1032-A1036 WeakPolarHBondContact O-CB 3.47Å; T1032-A1036 PolarHBondContact O-N 3.22Å |
| 1033 | A | 65.4 | Low | 66.3 | Low | 10 Ų | 10 | 76.3 Ų | 76.3 | 8% | 0.083 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -72.6 | -43 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1029 I1030 L1031 K1035 A1036 D1037 K1038 Y1044 | L1029-A1033 WeakPolarHBondContact O-CB 3.26Å; L1029-A1033 PolarHBondContact O-N 3.4Å; I1030-A1033 PolarHBondContact O-N 3.37Å; L1031-A1033 PolarHBondContact O-N 2.81Å; A1033-K1035 PolarHBondContact O-N 3.05Å; A1033-K1035 VanDerWaalsContact O-N 3.1Å; A1033-A1036 PolarHBondContact O-N 2.92Å; A1033-D1037 CarbonylContact O-C 3.5Å; A1033-D1037 WeakPolarHBondContact O-CA 3.44Å; A1033-D1037 PolarHBondContact O-N 3.44Å; A1033-D1037 VanDerWaalsContact O-O 3.08Å; A1033-K1038 PolarHBondContact O-N 3.29Å; A1033-Y1044 HydrophobicContact CB-CD2 4.07Å; A1033-Y1044 HydrophobicContact CB-CE2 3.51Å |
| 1034 | I | 65.1 | Low | 66.6 | Low | 23 Ų | 23 | 71.2 Ų | 71.2 | 12% | 0.118 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -53.8 | -32.1 | 171.1 | -75.1 | 167.6 | 0 | 0 | 0 | 110.5 | I1030 L1031 K1038 V1041 I1059 N1063 | I1030-I1034 HydrophobicContact CG2-CD1 3.73Å; I1030-I1034 HydrophobicContact CG2-CG1 4.3Å; I1030-I1034 WeakPolarHBondContact O-CB 3.49Å; I1030-I1034 WeakPolarHBondContact O-CG1 3.23Å; I1030-I1034 PolarHBondContact O-N 2.98Å; L1031-I1034 HydrophobicContact CD2-CD1 4.49Å; L1031-I1034 PolarHBondContact O-N 2.91Å; I1034-K1038 WeakPolarHBondContact O-CE 3.4Å; I1034-K1038 VanDerWaalsContact O-CG 3.31Å; I1034-K1038 WeakPolarHBondContact O-CG 3.42Å; I1034-V1041 HydrophobicContact CB-CG2 4.48Å; I1034-V1041 HydrophobicContact CG1-CG1 4.14Å; I1034-V1041 HydrophobicContact CG1-CG2 3.67Å; I1034-I1059 HydrophobicContact CD1-CG2 4.03Å; I1034-N1063 VanDerWaalsContact CG2-ND2 3.33Å; I1034-N1063 WeakPolarHBondContact CG2-ND2 3.43Å |
| 1035 | K | 63.5 | Low | 66.6 | Low | 189 Ų | 189 | 68.3 Ų | 68.3 | 82% | 0.822 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -88.1 | -40.2 | -179.6 | -161.3 | 176.7 | 180 | -172.2 | 0 | 114.4 | L1031 T1032 A1033 | L1031-K1035 WeakPolarHBondContact O-CB 3.34Å; L1031-K1035 PolarHBondContact O-N 2.88Å; L1031-K1035 VanDerWaalsContact O-N 3.1Å; T1032-K1035 PolarHBondContact O-N 3.47Å; A1033-K1035 PolarHBondContact O-N 3.05Å; A1033-K1035 VanDerWaalsContact O-N 3.1Å |
| 1036 | A | 65.3 | Low | 66.5 | Low | 77 Ų | 77 | 71.9 Ų | 71.9 | 64% | 0.636 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -105.3 | -25.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1032 A1033 | T1032-A1036 WeakPolarHBondContact O-CB 3.47Å; T1032-A1036 PolarHBondContact O-N 3.22Å; A1033-A1036 PolarHBondContact O-N 2.92Å |
| 1037 | D | 62.6 | Low | 66.5 | Low | 59 Ų | 59 | 78.1 Ų | 78.1 | 32% | 0.316 | 39% | 0.392 | S | S | . | . | trans | -155.6 | 84.8 | 179.1 | -170.5 | -0.7 | 0 | 0 | 0 | 113.2 | A1033 S1039 R1040 | A1033-D1037 CarbonylContact O-C 3.5Å; A1033-D1037 WeakPolarHBondContact O-CA 3.44Å; A1033-D1037 PolarHBondContact O-N 3.44Å; A1033-D1037 VanDerWaalsContact O-O 3.08Å; D1037-S1039 PolarHBondContact O-N 3.27Å; D1037-S1039 VanDerWaalsContact O-N 3.17Å; D1037-S1039 PolarHBondContact OD1-OG 3.4Å; D1037-R1040 IonicContact OD2-CZ 3.6Å; D1037-R1040 IonicContact OD2-NE 2.88Å; D1037-R1040 PolarHBondContact OD2-NE 3.28Å; D1037-R1040 IonicContact OD2-NH2 2.94Å | ||
| 1038 | K | 63.3 | Low | 66.4 | Low | 137 Ų | 137 | 77.5 Ų | 77.5 | 60% | 0.596 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -63.1 | -19.9 | -174.8 | -66.1 | -179.1 | -179.6 | -172.8 | 0 | 115.1 | A1033 I1034 R1040 V1041 | A1033-K1038 PolarHBondContact O-N 3.29Å; I1034-K1038 WeakPolarHBondContact O-CE 3.4Å; I1034-K1038 VanDerWaalsContact O-CG 3.31Å; I1034-K1038 WeakPolarHBondContact O-CG 3.42Å; K1038-R1040 PolarHBondContact O-N 3.43Å; K1038-V1041 WeakPolarHBondContact O-CB 2.96Å; K1038-V1041 WeakPolarHBondContact O-CG2 3.34Å; K1038-V1041 PolarHBondContact O-N 3.1Å |
| 1039 | S | 64.1 | Low | 65.7 | Low | 95 Ų | 95 | 80.9 Ų | 80.9 | 66% | 0.664 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -64.5 | -28.2 | -175.5 | 67.5 | 0 | 0 | 0 | 0 | 112.8 | D1037 | D1037-S1039 PolarHBondContact O-N 3.27Å; D1037-S1039 VanDerWaalsContact O-N 3.17Å; D1037-S1039 PolarHBondContact OD1-OG 3.4Å |
| 1040 | R | 64.9 | Low | 65.3 | Low | 115 Ų | 115 | 83.8 Ų | 83.8 | 43% | 0.434 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -86.1 | -5.9 | -176.1 | -55.1 | -175.6 | -169.4 | -165.3 | -5.2 | 113.4 | D1037 K1038 E1043 Y1044 | D1037-R1040 IonicContact OD2-CZ 3.6Å; D1037-R1040 IonicContact OD2-NE 2.88Å; D1037-R1040 PolarHBondContact OD2-NE 3.28Å; D1037-R1040 IonicContact OD2-NH2 2.94Å; K1038-R1040 PolarHBondContact O-N 3.43Å; R1040-E1043 WeakPolarHBondContact O-CB 3.14Å; R1040-E1043 PolarHBondContact O-N 3.4Å; R1040-Y1044 HydrophobicContact CB-CD2 3.95Å; R1040-Y1044 HydrophobicContact CB-CE1 4.38Å; R1040-Y1044 HydrophobicContact CB-CE2 3.29Å; R1040-Y1044 WeakPolarHBondContact CD-OH 3.24Å; R1040-Y1044 HydrophobicContact CG-CE2 4.44Å; R1040-Y1044 WeakPolarHBondContact O-CD2 3.13Å; R1040-Y1044 VanDerWaalsContact O-CG 3.23Å; R1040-Y1044 PolarHBondContact O-N 3.14Å |
| 1041 | V | 64.2 | Low | 65.4 | Low | 10 Ų | 10 | 86.1 Ų | 86.1 | 6% | 0.061 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -68.4 | -43 | -170.5 | 177.4 | 0 | 0 | 0 | 0 | 113.2 | I1034 K1038 E1043 Y1044 I1045 L1065 | I1034-V1041 HydrophobicContact CB-CG2 4.48Å; I1034-V1041 HydrophobicContact CG1-CG1 4.14Å; I1034-V1041 HydrophobicContact CG1-CG2 3.67Å; K1038-V1041 WeakPolarHBondContact O-CB 2.96Å; K1038-V1041 WeakPolarHBondContact O-CG2 3.34Å; K1038-V1041 PolarHBondContact O-N 3.1Å; V1041-E1043 VanDerWaalsContact C-N 3.26Å; V1041-E1043 PolarHBondContact O-N 2.83Å; V1041-Y1044 PolarHBondContact O-N 3.5Å; V1041-I1045 HydrophobicContact CG1-CD1 3.78Å; V1041-I1045 HydrophobicContact CG1-CG1 4.3Å; V1041-I1045 WeakPolarHBondContact O-CB 3.2Å; V1041-I1045 VanDerWaalsContact O-CG1 3.27Å; V1041-I1045 WeakPolarHBondContact O-CG1 3.5Å; V1041-I1045 PolarHBondContact O-N 2.87Å; V1041-L1065 HydrophobicContact CG1-CD1 4.3Å |
| 1042 | M | 59.9 | Low | 65.7 | Low | 100 Ų | 100 | 85.1 Ų | 85.1 | 49% | 0.493 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.4 | -28.5 | 176 | -162.5 | 67.3 | 170.3 | 0 | 0 | 111.7 | N1046 E1068 | M1042-N1046 WeakPolarHBondContact O-CB 3.3Å; M1042-N1046 VanDerWaalsContact O-CG 3.28Å; M1042-N1046 PolarHBondContact O-N 3.26Å; M1042-N1046 PolarHBondContact O-ND2 2.62Å; M1042-E1068 HydrophobicContact CE-CG 4.43Å; M1042-E1068 HydrophobicContact SD-CG 4.15Å |
| 1043 | E | 66.8 | Low | 65.2 | Low | 91 Ų | 91 | 85 Ų | 85 | 43% | 0.425 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -71.6 | -43.3 | 172.5 | -170.1 | 179.7 | 177.7 | 0 | 0 | 111 | R1040 V1041 N1046 R1047 | R1040-E1043 WeakPolarHBondContact O-CB 3.14Å; R1040-E1043 PolarHBondContact O-N 3.4Å; V1041-E1043 VanDerWaalsContact C-N 3.26Å; V1041-E1043 PolarHBondContact O-N 2.83Å; E1043-N1046 PolarHBondContact O-N 3.11Å; E1043-R1047 WeakPolarHBondContact O-CB 3.46Å; E1043-R1047 PolarHBondContact O-N 2.77Å; E1043-R1047 IonicContact OE1-CZ 2.61Å; E1043-R1047 IonicContact OE1-NE 3.53Å; E1043-R1047 IonicContact OE1-NH1 3.13Å; E1043-R1047 PolarHBondContact OE1-NH1 3.35Å; E1043-R1047 VanDerWaalsContact OE1-NH1 3.13Å; E1043-R1047 IonicContact OE1-NH2 2.93Å; E1043-R1047 PolarHBondContact OE1-NH2 2.86Å |
| 1044 | Y | 70.7 | Confident | 65.1 | Low | 44 Ų | 44 | 88.4 Ų | 88.4 | 17% | 0.173 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 173.5 | -60.4 | -37.9 | 0 | 0 | 0 | 112.6 | A1033 R1040 V1041 N1046 R1047 L1048 | A1033-Y1044 HydrophobicContact CB-CD2 4.07Å; A1033-Y1044 HydrophobicContact CB-CE2 3.51Å; R1040-Y1044 HydrophobicContact CB-CD2 3.95Å; R1040-Y1044 HydrophobicContact CB-CE1 4.38Å; R1040-Y1044 HydrophobicContact CB-CE2 3.29Å; R1040-Y1044 WeakPolarHBondContact CD-OH 3.24Å; R1040-Y1044 HydrophobicContact CG-CE2 4.44Å; R1040-Y1044 WeakPolarHBondContact O-CD2 3.13Å; R1040-Y1044 VanDerWaalsContact O-CG 3.23Å; R1040-Y1044 PolarHBondContact O-N 3.14Å; V1041-Y1044 PolarHBondContact O-N 3.5Å; Y1044-N1046 VanDerWaalsContact C-N 3.29Å; Y1044-N1046 PolarHBondContact O-N 2.92Å; Y1044-R1047 PolarHBondContact O-N 3.48Å; Y1044-L1048 VanDerWaalsContact O-CB 3.29Å; Y1044-L1048 WeakPolarHBondContact O-CB 3.32Å; Y1044-L1048 WeakPolarHBondContact O-CG 3.33Å; Y1044-L1048 PolarHBondContact O-N 3Å |
| 1045 | I | 65.8 | Low | 65.1 | Low | 38 Ų | 38 | 91.6 Ų | 91.6 | 20% | 0.195 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -64.3 | -30.4 | 176.2 | -71.9 | 170.2 | 0 | 0 | 0 | 112.2 | V1041 | V1041-I1045 HydrophobicContact CG1-CD1 3.78Å; V1041-I1045 HydrophobicContact CG1-CG1 4.3Å; V1041-I1045 WeakPolarHBondContact O-CB 3.2Å; V1041-I1045 VanDerWaalsContact O-CG1 3.27Å; V1041-I1045 WeakPolarHBondContact O-CG1 3.5Å; V1041-I1045 PolarHBondContact O-N 2.87Å |
| 1046 | N | 67.3 | Low | 65.4 | Low | 116 Ų | 116 | 83.9 Ų | 83.9 | 62% | 0.62 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -89 | -23.6 | 176.9 | -72.2 | -42.8 | 0 | 0 | 0 | 114 | M1042 E1043 Y1044 | M1042-N1046 WeakPolarHBondContact O-CB 3.3Å; M1042-N1046 VanDerWaalsContact O-CG 3.28Å; M1042-N1046 PolarHBondContact O-N 3.26Å; M1042-N1046 PolarHBondContact O-ND2 2.62Å; E1043-N1046 PolarHBondContact O-N 3.11Å; Y1044-N1046 VanDerWaalsContact C-N 3.29Å; Y1044-N1046 PolarHBondContact O-N 2.92Å |
| 1047 | R | 67.2 | Low | 65.3 | Low | 181 Ų | 181 | 80.2 Ų | 80.2 | 68% | 0.683 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -96.4 | -23.6 | -178 | -84.3 | -168.1 | 175.8 | 164.2 | 11.2 | 115.1 | E1043 Y1044 | E1043-R1047 WeakPolarHBondContact O-CB 3.46Å; E1043-R1047 PolarHBondContact O-N 2.77Å; E1043-R1047 IonicContact OE1-CZ 2.61Å; E1043-R1047 IonicContact OE1-NE 3.53Å; E1043-R1047 IonicContact OE1-NH1 3.13Å; E1043-R1047 PolarHBondContact OE1-NH1 3.35Å; E1043-R1047 VanDerWaalsContact OE1-NH1 3.13Å; E1043-R1047 IonicContact OE1-NH2 2.93Å; E1043-R1047 PolarHBondContact OE1-NH2 2.86Å; Y1044-R1047 PolarHBondContact O-N 3.48Å |
| 1048 | L | 68.2 | Low | 65.5 | Low | 42 Ų | 42 | 81 Ų | 81 | 22% | 0.22 | 41% | 0.411 | C | S | . | . | trans | -106.3 | 124.1 | -176.1 | -59.2 | 170.7 | 0 | 0 | 0 | 108.4 | I1030 Y1044 Y1051 | I1030-L1048 HydrophobicContact CD1-CD1 3.51Å; I1030-L1048 HydrophobicContact CG1-CD1 3.59Å; Y1044-L1048 VanDerWaalsContact O-CB 3.29Å; Y1044-L1048 WeakPolarHBondContact O-CB 3.32Å; Y1044-L1048 WeakPolarHBondContact O-CG 3.33Å; Y1044-L1048 PolarHBondContact O-N 3Å; L1048-Y1051 VanDerWaalsContact O-CD1 3.24Å; L1048-Y1051 WeakPolarHBondContact O-CD1 3.44Å; L1048-Y1051 WeakPolarHBondContact O-CE1 3.42Å | ||
| 1049 | D | 57.4 | Low | 65.7 | Low | 146 Ų | 146 | 77 Ų | 77 | 78% | 0.781 | 40% | 0.396 | S | S | * | . | trans | -99.4 | -16.1 | -176.8 | -63.7 | -40.6 | 0 | 0 | 0 | 113.3 | Y1051 | D1049-Y1051 PolarHBondContact O-N 3.07Š| ||
| 1050 | N | 63.7 | Low | 65.7 | Low | 130 Ų | 130 | 72.8 Ų | 72.8 | 70% | 0.695 | 37% | 0.366 | S | S | * | . | trans | -104.8 | 51 | -170 | -75.2 | -27.2 | 0 | 0 | 0 | 113.9 | ||||
| 1051 | Y | 72.3 | Confident | 65.5 | Low | 68 Ų | 68 | 68.2 Ų | 68.2 | 27% | 0.267 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -117.5 | 167.9 | 173.7 | 68.1 | -97.3 | 0 | 0 | 0 | 112.7 | L1048 D1049 V1056 | L1048-Y1051 VanDerWaalsContact O-CD1 3.24Å; L1048-Y1051 WeakPolarHBondContact O-CD1 3.44Å; L1048-Y1051 WeakPolarHBondContact O-CE1 3.42Å; D1049-Y1051 PolarHBondContact O-N 3.07Å; Y1051-V1056 HydrophobicContact CD2-CB 3.68Å; Y1051-V1056 HydrophobicContact CD2-CG1 3.96Å; Y1051-V1056 HydrophobicContact CD2-CG2 3.5Å; Y1051-V1056 VanDerWaalsContact CD2-CG2 3.5Å; Y1051-V1056 HydrophobicContact CE2-CB 3.95Å; Y1051-V1056 HydrophobicContact CE2-CG1 3.89Å; Y1051-V1056 HydrophobicContact CE2-CG2 4.26Å; Y1051-V1056 HydrophobicContact CG-CG2 4.17Å |
| 1052 | D | 72.6 | Confident | 65.5 | Low | 66 Ų | 66 | 73.6 Ų | 73.6 | 35% | 0.353 | 38% | 0.379 | S | S | . | . | trans | -89.4 | 115.3 | -175.6 | -168.1 | -41.6 | 0 | 0 | 0 | 111.4 | P1054 D1055 V1056 | D1052-P1054 VanDerWaalsContact OD1-CD 3.31Å; D1052-P1054 WeakPolarHBondContact OD1-CD 3.48Å; D1052-D1055 HydrophobicContact CB-CB 3.94Å; D1052-D1055 PolarHBondContact OD1-N 3.08Å; D1052-V1056 WeakPolarHBondContact O-CA 3.45Å; D1052-V1056 WeakPolarHBondContact O-CB 3.34Å; D1052-V1056 WeakPolarHBondContact O-CG2 3.44Å; D1052-V1056 PolarHBondContact O-N 2.99Å | ||
| 1053 | A | 58.1 | Low | 65.5 | Low | 48 Ų | 48 | 71.4 Ų | 71.4 | 40% | 0.397 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -72.7 | -45.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1057 | A1053-A1057 WeakPolarHBondContact O-CA 3.29Å; A1053-A1057 WeakPolarHBondContact O-CB 3.38Å; A1053-A1057 PolarHBondContact O-N 3.3Å |
| 1054 | P | 65 | Low | 65.6 | Low | 81 Ų | 81 | 71 Ų | 71 | 53% | 0.526 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 169.7 | -24.5 | 33 | 0 | 0 | 0 | 113 | D1052 N1058 | D1052-P1054 VanDerWaalsContact OD1-CD 3.31Å; D1052-P1054 WeakPolarHBondContact OD1-CD 3.48Å; P1054-N1058 VanDerWaalsContact O-CB 3.28Å; P1054-N1058 WeakPolarHBondContact O-CB 3.47Å; P1054-N1058 PolarHBondContact O-N 3.32Å; P1054-N1058 PolarHBondContact O-ND2 3.27Å; P1054-N1058 VanDerWaalsContact O-ND2 3.09Å |
| 1055 | D | 64.9 | Low | 65.5 | Low | 91 Ų | 91 | 71.3 Ų | 71.3 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -72.8 | -41.5 | -178.4 | -79.5 | -6.3 | 0 | 0 | 0 | 111.7 | D1052 N1058 I1059 | D1052-D1055 HydrophobicContact CB-CB 3.94Å; D1052-D1055 PolarHBondContact OD1-N 3.08Å; D1055-N1058 CarbonylContact O-C 3.56Å; D1055-N1058 PolarHBondContact O-N 3.37Å; D1055-I1059 WeakPolarHBondContact O-CB 3.49Å; D1055-I1059 WeakPolarHBondContact O-CD1 3.39Å; D1055-I1059 WeakPolarHBondContact O-CG1 3.34Å; D1055-I1059 PolarHBondContact O-N 2.86Å |
| 1056 | V | 69.9 | Low | 65.5 | Low | 27 Ų | 27 | 73.2 Ų | 73.2 | 16% | 0.164 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -71.3 | -34.3 | 174.8 | 175 | 0 | 0 | 0 | 0 | 111.2 | Y1051 D1052 I1059 A1060 | Y1051-V1056 HydrophobicContact CD2-CB 3.68Å; Y1051-V1056 HydrophobicContact CD2-CG1 3.96Å; Y1051-V1056 HydrophobicContact CD2-CG2 3.5Å; Y1051-V1056 VanDerWaalsContact CD2-CG2 3.5Å; Y1051-V1056 HydrophobicContact CE2-CB 3.95Å; Y1051-V1056 HydrophobicContact CE2-CG1 3.89Å; Y1051-V1056 HydrophobicContact CE2-CG2 4.26Å; Y1051-V1056 HydrophobicContact CG-CG2 4.17Å; D1052-V1056 WeakPolarHBondContact O-CA 3.45Å; D1052-V1056 WeakPolarHBondContact O-CB 3.34Å; D1052-V1056 WeakPolarHBondContact O-CG2 3.44Å; D1052-V1056 PolarHBondContact O-N 2.99Å; V1056-I1059 CarbonylContact O-C 3.55Å; V1056-I1059 PolarHBondContact O-N 3.27Å; V1056-A1060 WeakPolarHBondContact O-CB 3.42Å; V1056-A1060 PolarHBondContact O-N 3.29Å |
| 1057 | A | 62.2 | Low | 65.7 | Low | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | A1053 A1060 I1061 I1072 | A1053-A1057 WeakPolarHBondContact O-CA 3.29Å; A1053-A1057 WeakPolarHBondContact O-CB 3.38Å; A1053-A1057 PolarHBondContact O-N 3.3Å; A1057-A1060 WeakPolarHBondContact O-CB 3.3Å; A1057-A1060 PolarHBondContact O-N 2.72Å; A1057-I1061 WeakPolarHBondContact O-CB 3.49Å; A1057-I1061 WeakPolarHBondContact O-CD1 3.42Å; A1057-I1061 WeakPolarHBondContact O-CG1 3.44Å; A1057-I1061 PolarHBondContact O-N 2.97Å; A1057-I1072 HydrophobicContact CB-CB 4.37Å; A1057-I1072 HydrophobicContact CB-CD1 3.78Å; A1057-I1072 HydrophobicContact CB-CG2 3.93Å |
| 1058 | N | 67.2 | Low | 65.8 | Low | 75 Ų | 75 | 68 Ų | 68 | 40% | 0.401 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.8 | -39.8 | 173.4 | -72.5 | -27.9 | 0 | 0 | 0 | 111.7 | P1054 D1055 A1060 I1061 N1062 | P1054-N1058 VanDerWaalsContact O-CB 3.28Å; P1054-N1058 WeakPolarHBondContact O-CB 3.47Å; P1054-N1058 PolarHBondContact O-N 3.32Å; P1054-N1058 PolarHBondContact O-ND2 3.27Å; P1054-N1058 VanDerWaalsContact O-ND2 3.09Å; D1055-N1058 CarbonylContact O-C 3.56Å; D1055-N1058 PolarHBondContact O-N 3.37Å; N1058-A1060 VanDerWaalsContact C-N 3.29Å; N1058-A1060 PolarHBondContact O-N 3.22Å; N1058-I1061 PolarHBondContact O-N 3.08Å; N1058-N1062 VanDerWaalsContact O-CB 3.31Å; N1058-N1062 WeakPolarHBondContact O-CB 3.49Å; N1058-N1062 PolarHBondContact O-N 2.94Å; N1058-N1062 PolarHBondContact O-ND2 3.04Å; N1058-N1062 VanDerWaalsContact O-ND2 3.15Å; N1058-N1062 PolarHBondContact O-OD1 2.91Å |
| 1059 | I | 66.5 | Low | 65.6 | Low | 53 Ų | 53 | 66.1 Ų | 66.1 | 27% | 0.272 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.8 | -30.4 | 175 | -67.5 | 162.7 | 0 | 0 | 0 | 110.9 | L1031 I1034 D1055 V1056 N1062 N1063 | L1031-I1059 HydrophobicContact CD2-CD1 4.46Å; I1034-I1059 HydrophobicContact CD1-CG2 4.03Å; D1055-I1059 WeakPolarHBondContact O-CB 3.49Å; D1055-I1059 WeakPolarHBondContact O-CD1 3.39Å; D1055-I1059 WeakPolarHBondContact O-CG1 3.34Å; D1055-I1059 PolarHBondContact O-N 2.86Å; V1056-I1059 CarbonylContact O-C 3.55Å; V1056-I1059 PolarHBondContact O-N 3.27Å; I1059-N1062 PolarHBondContact O-N 3.32Å; I1059-N1063 WeakPolarHBondContact O-CB 3.49Å; I1059-N1063 PolarHBondContact O-N 3.22Å; I1059-N1063 PolarHBondContact O-ND2 3.48Å |
| 1060 | A | 65.2 | Low | 66 | Low | 6 Ų | 6 | 60.5 Ų | 60.5 | 5% | 0.05 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.5 | -45.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1056 A1057 N1058 N1062 N1063 S1064 L1065 | V1056-A1060 WeakPolarHBondContact O-CB 3.42Å; V1056-A1060 PolarHBondContact O-N 3.29Å; A1057-A1060 WeakPolarHBondContact O-CB 3.3Å; A1057-A1060 PolarHBondContact O-N 2.72Å; N1058-A1060 VanDerWaalsContact C-N 3.29Å; N1058-A1060 PolarHBondContact O-N 3.22Å; A1060-N1062 PolarHBondContact O-N 3.39Å; A1060-N1063 CarbonylContact O-C 3.57Å; A1060-N1063 PolarHBondContact O-N 2.97Å; A1060-N1063 VanDerWaalsContact O-N 3.08Å; A1060-S1064 PolarHBondContact O-N 2.98Å; A1060-L1065 HydrophobicContact CB-CB 4Å; A1060-L1065 WeakPolarHBondContact O-CB 3.25Å; A1060-L1065 PolarHBondContact O-N 3.02Å |
| 1061 | I | 60.6 | Low | 66.3 | Low | 20 Ų | 20 | 57 Ų | 57 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.9 | -40.4 | 169.6 | -68.5 | 162.8 | 0 | 0 | 0 | 109.9 | A1057 N1058 S1064 F1066 A1069 F1073 H1089 | A1057-I1061 WeakPolarHBondContact O-CB 3.49Å; A1057-I1061 WeakPolarHBondContact O-CD1 3.42Å; A1057-I1061 WeakPolarHBondContact O-CG1 3.44Å; A1057-I1061 PolarHBondContact O-N 2.97Å; N1058-I1061 PolarHBondContact O-N 3.08Å; I1061-S1064 PolarHBondContact O-N 3.24Å; I1061-F1066 HydrophobicContact CG2-CD1 4.41Å; I1061-F1066 HydrophobicContact CG2-CE1 4.23Å; I1061-F1066 WeakPolarHBondContact O-CE1 3.1Å; I1061-A1069 HydrophobicContact CD1-CB 3.86Å; I1061-A1069 HydrophobicContact CG1-CB 3.25Å; I1061-F1073 HydrophobicContact CD1-CE2 3.68Å; I1061-F1073 HydrophobicContact CD1-CZ 4.23Å; I1061-H1089 WeakPolarHBondContact CG2-CE1 3.3Å |
| 1062 | N | 63.9 | Low | 66.2 | Low | 123 Ų | 123 | 56 Ų | 56 | 66% | 0.658 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -71.8 | -29.8 | 178.2 | -68.4 | -20.1 | 0 | 0 | 0 | 113.2 | N1058 I1059 A1060 S1064 | N1058-N1062 VanDerWaalsContact O-CB 3.31Å; N1058-N1062 WeakPolarHBondContact O-CB 3.49Å; N1058-N1062 PolarHBondContact O-N 2.94Å; N1058-N1062 PolarHBondContact O-ND2 3.04Å; N1058-N1062 VanDerWaalsContact O-ND2 3.15Å; N1058-N1062 PolarHBondContact O-OD1 2.91Å; I1059-N1062 PolarHBondContact O-N 3.32Å; A1060-N1062 PolarHBondContact O-N 3.39Å; N1062-S1064 VanDerWaalsContact C-N 3.3Å |
| 1063 | N | 59.4 | Low | 66.2 | Low | 54 Ų | 54 | 55.9 Ų | 55.9 | 29% | 0.289 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 17.2 | 175.4 | -76.4 | -74.6 | 0 | 0 | 0 | 113.2 | I1034 I1059 A1060 L1065 | I1034-N1063 VanDerWaalsContact CG2-ND2 3.33Å; I1034-N1063 WeakPolarHBondContact CG2-ND2 3.43Å; I1059-N1063 WeakPolarHBondContact O-CB 3.49Å; I1059-N1063 PolarHBondContact O-N 3.22Å; I1059-N1063 PolarHBondContact O-ND2 3.48Å; A1060-N1063 CarbonylContact O-C 3.57Å; A1060-N1063 PolarHBondContact O-N 2.97Å; A1060-N1063 VanDerWaalsContact O-N 3.08Å; N1063-L1065 VanDerWaalsContact C-N 3.32Å; N1063-L1065 PolarHBondContact O-N 3.31Å |
| 1064 | S | 68.8 | Low | 66.3 | Low | 81 Ų | 81 | 60.4 Ų | 60.4 | 57% | 0.566 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 26.7 | 175.5 | -52.8 | 0 | 0 | 0 | 0 | 115.6 | A1060 I1061 N1062 F1066 | A1060-S1064 PolarHBondContact O-N 2.98Å; I1061-S1064 PolarHBondContact O-N 3.24Å; N1062-S1064 VanDerWaalsContact C-N 3.3Å; S1064-F1066 PolarHBondContact O-N 2.86Å |
| 1065 | L | 69.2 | Low | 66.3 | Low | 51 Ų | 51 | 64.8 Ų | 64.8 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | trans | -93.8 | 64.3 | 173.7 | -63.8 | 172.6 | 0 | 0 | 0 | 109.1 | V1041 A1060 N1063 E1068 A1069 | V1041-L1065 HydrophobicContact CG1-CD1 4.3Å; A1060-L1065 HydrophobicContact CB-CB 4Å; A1060-L1065 WeakPolarHBondContact O-CB 3.25Å; A1060-L1065 PolarHBondContact O-N 3.02Å; N1063-L1065 VanDerWaalsContact C-N 3.32Å; N1063-L1065 PolarHBondContact O-N 3.31Å; L1065-E1068 WeakPolarHBondContact CA-OE2 3.41Å; L1065-E1068 HydrophobicContact CB-CB 4.09Å; L1065-E1068 HydrophobicContact CB-CG 4.1Å; L1065-E1068 VanDerWaalsContact CB-OE2 3.28Å; L1065-E1068 WeakPolarHBondContact CB-OE2 3.4Å; L1065-E1068 WeakPolarHBondContact O-CB 3.5Å; L1065-A1069 PolarHBondContact O-N 2.95Å; L1065-A1069 VanDerWaalsContact O-N 3.07Å | ||
| 1066 | F | 65.5 | Low | 66.4 | Low | 78 Ų | 78 | 67.4 Ų | 67.4 | 34% | 0.342 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -77.2 | -28.9 | -169 | -54.7 | -63.1 | 0 | 0 | 0 | 114.3 | I1061 S1064 A1069 F1070 H1089 | I1061-F1066 HydrophobicContact CG2-CD1 4.41Å; I1061-F1066 HydrophobicContact CG2-CE1 4.23Å; I1061-F1066 WeakPolarHBondContact O-CE1 3.1Å; S1064-F1066 PolarHBondContact O-N 2.86Å; F1066-A1069 PolarHBondContact O-N 3.31Å; F1066-F1070 WeakPolarHBondContact O-CB 3.45Å; F1066-F1070 PolarHBondContact O-N 2.92Å; F1066-H1089 HydrophobicContact CD1-CB 4.33Å; F1066-H1089 AromaticContact CD1-ND1 3.93Å |
| 1067 | E | 70.8 | Confident | 65.8 | Low | 129 Ų | 129 | 74.7 Ų | 74.7 | 60% | 0.603 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -73.3 | -37.8 | 173.3 | -73.7 | -67.4 | 165.6 | 0 | 0 | 109.9 | A1069 F1070 A1071 | E1067-A1069 PolarHBondContact O-N 3.25Å; E1067-F1070 PolarHBondContact O-N 3.43Å; E1067-A1071 WeakPolarHBondContact O-CB 3.3Å; E1067-A1071 PolarHBondContact O-N 3.37Å |
| 1068 | E | 70.1 | Confident | 66.1 | Low | 60 Ų | 60 | 77.7 Ų | 77.7 | 28% | 0.28 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.6 | -40.6 | 170.1 | -62.3 | 78.7 | 176.3 | 0 | 0 | 110 | M1042 L1065 I1072 | M1042-E1068 HydrophobicContact CE-CG 4.43Å; M1042-E1068 HydrophobicContact SD-CG 4.15Å; L1065-E1068 WeakPolarHBondContact CA-OE2 3.41Å; L1065-E1068 HydrophobicContact CB-CB 4.09Å; L1065-E1068 HydrophobicContact CB-CG 4.1Å; L1065-E1068 VanDerWaalsContact CB-OE2 3.28Å; L1065-E1068 WeakPolarHBondContact CB-OE2 3.4Å; L1065-E1068 WeakPolarHBondContact O-CB 3.5Å; E1068-I1072 VanDerWaalsContact O-CD1 3.31Å; E1068-I1072 WeakPolarHBondContact O-CD1 3.33Å; E1068-I1072 WeakPolarHBondContact O-CG1 3.23Å; E1068-I1072 PolarHBondContact O-N 3.07Å |
| 1069 | A | 63.3 | Low | 65.9 | Low | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.008 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -74.3 | -43.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | I1061 L1065 F1066 E1067 A1071 I1072 F1073 | I1061-A1069 HydrophobicContact CD1-CB 3.86Å; I1061-A1069 HydrophobicContact CG1-CB 3.25Å; L1065-A1069 PolarHBondContact O-N 2.95Å; L1065-A1069 VanDerWaalsContact O-N 3.07Å; F1066-A1069 PolarHBondContact O-N 3.31Å; E1067-A1069 PolarHBondContact O-N 3.25Å; A1069-A1071 VanDerWaalsContact C-N 3.29Å; A1069-A1071 PolarHBondContact O-N 2.95Å; A1069-I1072 WeakPolarHBondContact O-CB 3.35Å; A1069-I1072 PolarHBondContact O-N 3.48Å; A1069-F1073 WeakPolarHBondContact O-CD2 3.24Å; A1069-F1073 PolarHBondContact O-N 3.18Å |
| 1070 | F | 66.9 | Low | 65.9 | Low | 28 Ų | 28 | 81.6 Ų | 81.6 | 12% | 0.123 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 173.6 | 177.9 | -116 | 0 | 0 | 0 | 110.7 | F1066 E1067 F1073 K1074 V1085 L1086 | F1066-F1070 WeakPolarHBondContact O-CB 3.45Å; F1066-F1070 PolarHBondContact O-N 2.92Å; E1067-F1070 PolarHBondContact O-N 3.43Å; F1070-F1073 PolarHBondContact O-N 3.39Å; F1070-K1074 HydrophobicContact CE1-CD 3.99Å; F1070-K1074 HydrophobicContact CZ-CD 4.01Å; F1070-K1074 WeakPolarHBondContact O-CB 3.37Å; F1070-K1074 PolarHBondContact O-N 3.18Å; F1070-V1085 HydrophobicContact CB-CG1 3.68Å; F1070-V1085 HydrophobicContact CD2-CB 3.92Å; F1070-V1085 HydrophobicContact CD2-CG1 3.35Å; F1070-V1085 HydrophobicContact CE2-CG1 4.33Å; F1070-V1085 HydrophobicContact CG-CG1 3.9Å; F1070-L1086 HydrophobicContact CE2-CD2 4.43Å; F1070-L1086 HydrophobicContact CE2-CG 4.46Å; F1070-L1086 HydrophobicContact CZ-CD2 4.46Å |
| 1071 | A | 69.8 | Low | 65.8 | Low | 56 Ų | 56 | 83.3 Ų | 83.3 | 46% | 0.463 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1067 A1069 K1075 | E1067-A1071 WeakPolarHBondContact O-CB 3.3Å; E1067-A1071 PolarHBondContact O-N 3.37Å; A1069-A1071 VanDerWaalsContact C-N 3.29Å; A1069-A1071 PolarHBondContact O-N 2.95Å; A1071-K1075 WeakPolarHBondContact O-CB 3.43Å; A1071-K1075 PolarHBondContact O-N 3.14Å |
| 1072 | I | 69.8 | Low | 66 | Low | 49 Ų | 49 | 83.5 Ų | 83.5 | 25% | 0.251 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.7 | -51.8 | 170.5 | -68.1 | 159.5 | 0 | 0 | 0 | 110.1 | A1057 E1068 A1069 K1075 F1076 | A1057-I1072 HydrophobicContact CB-CB 4.37Å; A1057-I1072 HydrophobicContact CB-CD1 3.78Å; A1057-I1072 HydrophobicContact CB-CG2 3.93Å; E1068-I1072 VanDerWaalsContact O-CD1 3.31Å; E1068-I1072 WeakPolarHBondContact O-CD1 3.33Å; E1068-I1072 WeakPolarHBondContact O-CG1 3.23Å; E1068-I1072 PolarHBondContact O-N 3.07Å; A1069-I1072 WeakPolarHBondContact O-CB 3.35Å; A1069-I1072 PolarHBondContact O-N 3.48Å; I1072-K1075 PolarHBondContact O-N 3.35Å; I1072-F1076 VanDerWaalsContact O-CD2 3.24Å; I1072-F1076 WeakPolarHBondContact O-CD2 3.32Å |
| 1073 | F | 72.2 | Confident | 66.4 | Low | 63 Ų | 63 | 78.1 Ų | 78.1 | 28% | 0.276 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -72.8 | -38.2 | -175.8 | -71.5 | -52.3 | 0 | 0 | 0 | 115.5 | I1061 A1069 F1070 K1075 F1076 V1085 | I1061-F1073 HydrophobicContact CD1-CE2 3.68Å; I1061-F1073 HydrophobicContact CD1-CZ 4.23Å; A1069-F1073 WeakPolarHBondContact O-CD2 3.24Å; A1069-F1073 PolarHBondContact O-N 3.18Å; F1070-F1073 PolarHBondContact O-N 3.39Å; F1073-K1075 VanDerWaalsContact C-N 3.28Å; F1073-K1075 PolarHBondContact O-N 2.97Å; F1073-F1076 PolarHBondContact O-N 2.98Å; F1073-F1076 VanDerWaalsContact O-N 3.17Å; F1073-V1085 HydrophobicContact CB-CG2 4.34Å; F1073-V1085 HydrophobicContact CD2-CG2 3.53Å; F1073-V1085 HydrophobicContact CE2-CG2 4.17Å; F1073-V1085 HydrophobicContact CG-CG2 4.26Å |
| 1074 | K | 61.9 | Low | 66.8 | Low | 143 Ų | 143 | 80.4 Ų | 80.4 | 62% | 0.622 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.9 | -31.8 | 175.3 | -175.6 | -177.5 | 174.6 | -172.3 | 0 | 111.6 | F1070 F1076 | F1070-K1074 HydrophobicContact CE1-CD 3.99Å; F1070-K1074 HydrophobicContact CZ-CD 4.01Å; F1070-K1074 WeakPolarHBondContact O-CB 3.37Å; F1070-K1074 PolarHBondContact O-N 3.18Å; K1074-F1076 PolarHBondContact O-N 3.05Å; K1074-F1076 VanDerWaalsContact O-N 3.09Å |
| 1075 | K | 65.2 | Low | 66.6 | Low | 173 Ų | 173 | 76.8 Ų | 76.8 | 75% | 0.752 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -8.4 | 174.6 | -169.2 | 173.9 | 179.2 | -176.9 | 0 | 112.7 | A1071 I1072 F1073 | A1071-K1075 WeakPolarHBondContact O-CB 3.43Å; A1071-K1075 PolarHBondContact O-N 3.14Å; I1072-K1075 PolarHBondContact O-N 3.35Å; F1073-K1075 VanDerWaalsContact C-N 3.28Å; F1073-K1075 PolarHBondContact O-N 2.97Å |
| 1076 | F | 65.3 | Low | 66.5 | Low | 146 Ų | 146 | 75.1 Ų | 75.1 | 64% | 0.64 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.3 | 17.8 | -178.8 | -65.2 | -83.3 | 0 | 0 | 0 | 116.7 | I1072 F1073 K1074 V1078 | I1072-F1076 VanDerWaalsContact O-CD2 3.24Å; I1072-F1076 WeakPolarHBondContact O-CD2 3.32Å; F1073-F1076 PolarHBondContact O-N 2.98Å; F1073-F1076 VanDerWaalsContact O-N 3.17Å; K1074-F1076 PolarHBondContact O-N 3.05Å; K1074-F1076 VanDerWaalsContact O-N 3.09Å; F1076-V1078 PolarHBondContact O-N 2.74Å |
| 1077 | E | 57 | Low | 66.5 | Low | 180 Ų | 180 | 72.4 Ų | 72.4 | 84% | 0.841 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 37.3 | 164.6 | -60 | -168.2 | 160.2 | 0 | 0 | 120.7 | ||
| 1078 | V | 69.8 | Low | 66.2 | Low | 63 Ų | 63 | 69.8 Ų | 69.8 | 38% | 0.382 | 36% | 0.356 | S | S | . | . | trans | -99.3 | 93.4 | -178.8 | -171.9 | 0 | 0 | 0 | 0 | 112.8 | F1076 T1080 S1081 A1082 | F1076-V1078 PolarHBondContact O-N 2.74Å; V1078-T1080 PolarHBondContact O-N 2.53Å; V1078-S1081 VanDerWaalsContact CG1-OG 3.28Å; V1078-S1081 WeakPolarHBondContact CG1-OG 3.49Å; V1078-S1081 CarbonylContact O-C 3.42Å; V1078-S1081 PolarHBondContact O-N 3.1Å; V1078-S1081 VanDerWaalsContact O-N 3.16Å; V1078-A1082 VanDerWaalsContact O-CB 3.27Å; V1078-A1082 WeakPolarHBondContact O-CB 3.48Å; V1078-A1082 PolarHBondContact O-N 3.12Å | ||
| 1079 | N | 63 | Low | 65.7 | Low | 114 Ų | 114 | 69.9 Ų | 69.9 | 61% | 0.61 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.3 | -34.4 | -168.5 | -73.8 | -29.1 | 0 | 0 | 0 | 117.2 | A1082 I1083 | N1079-A1082 PolarHBondContact O-N 2.84Å; N1079-I1083 PolarHBondContact O-N 2.89Å |
| 1080 | T | 66 | Low | 65.8 | Low | 96 Ų | 96 | 72.2 Ų | 72.2 | 59% | 0.589 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -67.1 | -43 | 170.9 | 37.1 | 0 | 0 | 0 | 0 | 110.7 | V1078 A1082 I1083 Q1084 | V1078-T1080 PolarHBondContact O-N 2.53Å; T1080-A1082 VanDerWaalsContact C-N 3.32Å; T1080-I1083 VanDerWaalsContact O-CG2 3.32Å; T1080-I1083 WeakPolarHBondContact O-CG2 3.49Å; T1080-Q1084 WeakPolarHBondContact O-CB 3.07Å; T1080-Q1084 PolarHBondContact O-N 3Å |
| 1081 | S | 63.7 | Low | 65.7 | Low | 41 Ų | 41 | 77.6 Ų | 77.6 | 29% | 0.287 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -71.8 | -25.6 | 173.1 | -55.9 | 0 | 0 | 0 | 0 | 112.3 | V1078 Q1084 V1085 | V1078-S1081 VanDerWaalsContact CG1-OG 3.28Å; V1078-S1081 WeakPolarHBondContact CG1-OG 3.49Å; V1078-S1081 CarbonylContact O-C 3.42Å; V1078-S1081 PolarHBondContact O-N 3.1Å; V1078-S1081 VanDerWaalsContact O-N 3.16Å; S1081-Q1084 CarbonylContact O-C 3.56Å; S1081-Q1084 WeakPolarHBondContact O-CB 3.38Å; S1081-Q1084 PolarHBondContact O-N 3.2Å; S1081-V1085 WeakPolarHBondContact O-CG2 3.39Å; S1081-V1085 PolarHBondContact O-N 2.9Å |
| 1082 | A | 64.3 | Low | 65.8 | Low | 25 Ų | 25 | 78 Ų | 78 | 21% | 0.207 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -77.4 | -43.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1078 N1079 T1080 Q1084 V1085 L1086 | V1078-A1082 VanDerWaalsContact O-CB 3.27Å; V1078-A1082 WeakPolarHBondContact O-CB 3.48Å; V1078-A1082 PolarHBondContact O-N 3.12Å; N1079-A1082 PolarHBondContact O-N 2.84Å; T1080-A1082 VanDerWaalsContact C-N 3.32Å; A1082-Q1084 PolarHBondContact O-N 2.91Å; A1082-V1085 PolarHBondContact O-N 2.85Å; A1082-L1086 WeakPolarHBondContact O-CB 3.41Å; A1082-L1086 VanDerWaalsContact O-CG 3.28Å; A1082-L1086 WeakPolarHBondContact O-CG 3.34Å; A1082-L1086 PolarHBondContact O-N 3.33Å |
| 1083 | I | 72.9 | Confident | 65.6 | Low | 9 Ų | 9 | 77.7 Ų | 77.7 | 5% | 0.046 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.9 | -33.4 | 167.9 | -154.2 | -173 | 0 | 0 | 0 | 109.6 | N1079 T1080 L1086 I1087 F1099 V1108 | N1079-I1083 PolarHBondContact O-N 2.89Å; T1080-I1083 VanDerWaalsContact O-CG2 3.32Å; T1080-I1083 WeakPolarHBondContact O-CG2 3.49Å; I1083-L1086 CarbonylContact O-C 3.54Å; I1083-L1086 WeakPolarHBondContact O-CB 3.45Å; I1083-L1086 PolarHBondContact O-N 3.19Å; I1083-I1087 HydrophobicContact CB-CD1 4.38Å; I1083-I1087 HydrophobicContact CD1-CD1 3.9Å; I1083-I1087 HydrophobicContact CG1-CD1 3.69Å; I1083-I1087 HydrophobicContact CG1-CG1 4.16Å; I1083-I1087 HydrophobicContact CG2-CD1 4.22Å; I1083-I1087 VanDerWaalsContact O-CB 3.24Å; I1083-I1087 WeakPolarHBondContact O-CB 3.49Å; I1083-I1087 WeakPolarHBondContact O-CD1 3.43Å; I1083-I1087 WeakPolarHBondContact O-CG1 3.31Å; I1083-I1087 PolarHBondContact O-N 3.09Å; I1083-F1099 HydrophobicContact CB-CD1 4.24Å; I1083-F1099 HydrophobicContact CB-CE1 4.02Å; I1083-F1099 HydrophobicContact CD1-CD1 3.54Å; I1083-F1099 HydrophobicContact CD1-CE1 3.99Å; I1083-F1099 HydrophobicContact CG1-CD1 3.79Å; I1083-F1099 HydrophobicContact CG1-CE1 4.09Å; I1083-V1108 HydrophobicContact CD1-CG1 4.48Å |
| 1084 | Q | 66.3 | Low | 65.4 | Low | 103 Ų | 103 | 80.6 Ų | 80.6 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.4 | -38.2 | 174.9 | -164.1 | 167.5 | 8.5 | 0 | 0 | 113 | T1080 S1081 A1082 L1086 I1087 D1088 | T1080-Q1084 WeakPolarHBondContact O-CB 3.07Å; T1080-Q1084 PolarHBondContact O-N 3Å; S1081-Q1084 CarbonylContact O-C 3.56Å; S1081-Q1084 WeakPolarHBondContact O-CB 3.38Å; S1081-Q1084 PolarHBondContact O-N 3.2Å; A1082-Q1084 PolarHBondContact O-N 2.91Å; Q1084-L1086 VanDerWaalsContact C-N 3.28Å; Q1084-L1086 PolarHBondContact O-N 3.02Å; Q1084-I1087 PolarHBondContact O-N 2.81Å; Q1084-D1088 WeakPolarHBondContact CG-OD2 3.32Å; Q1084-D1088 PolarHBondContact NE2-OD2 2.76Å; Q1084-D1088 WeakPolarHBondContact O-CA 3.43Å; Q1084-D1088 WeakPolarHBondContact O-CB 2.99Å; Q1084-D1088 PolarHBondContact O-N 2.84Å |
| 1085 | V | 66.1 | Low | 65.8 | Low | 4 Ų | 4 | 79.9 Ų | 79.9 | 2% | 0.024 | 40% | 0.397 | C | S | . | . | I | π-helix | trans | -67.3 | -34.8 | 171.2 | 179.8 | 0 | 0 | 0 | 0 | 110 | F1070 F1073 S1081 A1082 H1089 V1090 | F1070-V1085 HydrophobicContact CB-CG1 3.68Å; F1070-V1085 HydrophobicContact CD2-CB 3.92Å; F1070-V1085 HydrophobicContact CD2-CG1 3.35Å; F1070-V1085 HydrophobicContact CE2-CG1 4.33Å; F1070-V1085 HydrophobicContact CG-CG1 3.9Å; F1073-V1085 HydrophobicContact CB-CG2 4.34Å; F1073-V1085 HydrophobicContact CD2-CG2 3.53Å; F1073-V1085 HydrophobicContact CE2-CG2 4.17Å; F1073-V1085 HydrophobicContact CG-CG2 4.26Å; S1081-V1085 WeakPolarHBondContact O-CG2 3.39Å; S1081-V1085 PolarHBondContact O-N 2.9Å; A1082-V1085 PolarHBondContact O-N 2.85Å; V1085-H1089 HydrophobicContact CG1-CB 4.03Å; V1085-H1089 CarbonylContact O-C 3.58Å; V1085-H1089 WeakPolarHBondContact O-CA 3.36Å; V1085-H1089 WeakPolarHBondContact O-CB 3.34Å; V1085-H1089 PolarHBondContact O-N 3.25Å; V1085-V1090 HydrophobicContact CG1-CG2 4.34Å; V1085-V1090 PolarHBondContact O-N 2.89Å |
| 1086 | L | 65.6 | Low | 65.9 | Low | 17 Ų | 17 | 71.6 Ų | 71.6 | 9% | 0.089 | 36% | 0.361 | C | S | . | . | I | π-helix | trans | -70 | -34.7 | 175.4 | -72.1 | 171.5 | 0 | 0 | 0 | 113.7 | F1070 A1082 I1083 Q1084 V1090 K1091 N1092 | F1070-L1086 HydrophobicContact CE2-CD2 4.43Å; F1070-L1086 HydrophobicContact CE2-CG 4.46Å; F1070-L1086 HydrophobicContact CZ-CD2 4.46Å; A1082-L1086 WeakPolarHBondContact O-CB 3.41Å; A1082-L1086 VanDerWaalsContact O-CG 3.28Å; A1082-L1086 WeakPolarHBondContact O-CG 3.34Å; A1082-L1086 PolarHBondContact O-N 3.33Å; I1083-L1086 CarbonylContact O-C 3.54Å; I1083-L1086 WeakPolarHBondContact O-CB 3.45Å; I1083-L1086 PolarHBondContact O-N 3.19Å; Q1084-L1086 VanDerWaalsContact C-N 3.28Å; Q1084-L1086 PolarHBondContact O-N 3.02Å; L1086-V1090 HydrophobicContact CD2-CB 4.24Å; L1086-V1090 HydrophobicContact CD2-CG1 4.34Å; L1086-V1090 HydrophobicContact CD2-CG2 4.28Å; L1086-K1091 WeakPolarHBondContact O-CA 3.38Å; L1086-K1091 PolarHBondContact O-N 3.45Å; L1086-N1092 PolarHBondContact O-N 3.18Å; L1086-N1092 VanDerWaalsContact O-N 3.11Å |
| 1087 | I | 65.9 | Low | 66.1 | Low | 20 Ų | 20 | 68.3 Ų | 68.3 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -81.2 | -50.5 | 178 | -70.4 | 165 | 0 | 0 | 0 | 110.2 | I1083 Q1084 K1091 F1093 A1096 A1115 | I1083-I1087 HydrophobicContact CB-CD1 4.38Å; I1083-I1087 HydrophobicContact CD1-CD1 3.9Å; I1083-I1087 HydrophobicContact CG1-CD1 3.69Å; I1083-I1087 HydrophobicContact CG1-CG1 4.16Å; I1083-I1087 HydrophobicContact CG2-CD1 4.22Å; I1083-I1087 VanDerWaalsContact O-CB 3.24Å; I1083-I1087 WeakPolarHBondContact O-CB 3.49Å; I1083-I1087 WeakPolarHBondContact O-CD1 3.43Å; I1083-I1087 WeakPolarHBondContact O-CG1 3.31Å; I1083-I1087 PolarHBondContact O-N 3.09Å; Q1084-I1087 PolarHBondContact O-N 2.81Å; I1087-K1091 WeakPolarHBondContact O-CA 3.42Å; I1087-F1093 HydrophobicContact CG2-CE1 4.03Å; I1087-A1096 HydrophobicContact CG1-CB 3.98Å; I1087-A1115 HydrophobicContact CD1-CB 4Å; I1087-A1115 HydrophobicContact CG1-CB 4.29Å; I1087-A1115 HydrophobicContact CG2-CB 3.86Å |
| 1088 | D | 65.8 | Low | 66.8 | Low | 75 Ų | 75 | 65.9 Ų | 65.9 | 40% | 0.401 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -87.5 | -41.1 | -168.5 | -62 | -8.9 | 0 | 0 | 0 | 112.7 | Q1084 K1091 | Q1084-D1088 WeakPolarHBondContact CG-OD2 3.32Å; Q1084-D1088 PolarHBondContact NE2-OD2 2.76Å; Q1084-D1088 WeakPolarHBondContact O-CA 3.43Å; Q1084-D1088 WeakPolarHBondContact O-CB 2.99Å; Q1084-D1088 PolarHBondContact O-N 2.84Å; D1088-K1091 WeakPolarHBondContact O-CE 3.46Å |
| 1089 | H | 59 | Low | 66.8 | Low | 62 Ų | 62 | 66.1 Ų | 66.1 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | I | π-helix | trans | -106.7 | -39.8 | -172.6 | -60.8 | -57.3 | 0 | 0 | 0 | 114.2 | I1061 F1066 V1085 | I1061-H1089 WeakPolarHBondContact CG2-CE1 3.3Å; F1066-H1089 HydrophobicContact CD1-CB 4.33Å; F1066-H1089 AromaticContact CD1-ND1 3.93Å; V1085-H1089 HydrophobicContact CG1-CB 4.03Å; V1085-H1089 CarbonylContact O-C 3.58Å; V1085-H1089 WeakPolarHBondContact O-CA 3.36Å; V1085-H1089 WeakPolarHBondContact O-CB 3.34Å; V1085-H1089 PolarHBondContact O-N 3.25Å |
| 1090 | V | 64.4 | Low | 67.1 | Low | 50 Ų | 50 | 60.7 Ų | 60.7 | 30% | 0.303 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -88.9 | -21.8 | 176.7 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | V1085 L1086 N1092 | V1085-V1090 HydrophobicContact CG1-CG2 4.34Å; V1085-V1090 PolarHBondContact O-N 2.89Å; L1086-V1090 HydrophobicContact CD2-CB 4.24Å; L1086-V1090 HydrophobicContact CD2-CG1 4.34Å; L1086-V1090 HydrophobicContact CD2-CG2 4.28Å; V1090-N1092 HydrophobicContact CG1-CB 4.33Å; V1090-N1092 PolarHBondContact O-N 2.71Å; V1090-N1092 VanDerWaalsContact O-N 3.17Å |
| 1091 | K | 65.3 | Low | 67.2 | Low | 140 Ų | 140 | 61.5 Ų | 61.5 | 61% | 0.609 | 30% | 0.297 | S | S | * | . | trans | 50.7 | 36.7 | 175 | -62.5 | -177.7 | 178.5 | 180 | 0 | 114.4 | L1086 I1087 D1088 F1093 | L1086-K1091 WeakPolarHBondContact O-CA 3.38Å; L1086-K1091 PolarHBondContact O-N 3.45Å; I1087-K1091 WeakPolarHBondContact O-CA 3.42Å; D1088-K1091 WeakPolarHBondContact O-CE 3.46Å; K1091-F1093 HydrophobicContact CB-CE2 4.05Å; K1091-F1093 WeakPolarHBondContact O-CD2 3.45Å; K1091-F1093 WeakPolarHBondContact O-CE2 3.27Å | ||
| 1092 | N | 73.1 | Confident | 67.3 | Low | 65 Ų | 65 | 70.4 Ų | 70.4 | 35% | 0.348 | 33% | 0.325 | S | S | . | . | trans | -104.2 | 92.4 | 179.1 | -169.2 | -34.6 | 0 | 0 | 0 | 110.3 | L1086 V1090 D1094 R1095 A1096 | L1086-N1092 PolarHBondContact O-N 3.18Å; L1086-N1092 VanDerWaalsContact O-N 3.11Å; V1090-N1092 HydrophobicContact CG1-CB 4.33Å; V1090-N1092 PolarHBondContact O-N 2.71Å; V1090-N1092 VanDerWaalsContact O-N 3.17Å; N1092-D1094 PolarHBondContact OD1-N 2.85Å; N1092-R1095 HydrophobicContact CB-CB 4.01Å; N1092-R1095 WeakPolarHBondContact O-CB 3.33Å; N1092-R1095 PolarHBondContact O-N 2.87Å; N1092-R1095 WeakPolarHBondContact OD1-CB 3.4Å; N1092-R1095 PolarHBondContact OD1-N 2.89Å; N1092-A1096 PolarHBondContact O-N 2.79Å | ||
| 1093 | F | 65.4 | Low | 67.5 | Low | 42 Ų | 42 | 71.8 Ų | 71.8 | 18% | 0.184 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -75.2 | -26 | -174 | -62.3 | -85.4 | 0 | 0 | 0 | 113.5 | I1087 K1091 R1095 A1096 Y1097 A1115 Q1119 | I1087-F1093 HydrophobicContact CG2-CE1 4.03Å; K1091-F1093 HydrophobicContact CB-CE2 4.05Å; K1091-F1093 WeakPolarHBondContact O-CD2 3.45Å; K1091-F1093 WeakPolarHBondContact O-CE2 3.27Å; F1093-R1095 VanDerWaalsContact C-N 3.34Å; F1093-A1096 CarbonylContact O-C 3.49Å; F1093-A1096 PolarHBondContact O-N 3.18Å; F1093-Y1097 VanDerWaalsContact O-CB 3.27Å; F1093-Y1097 WeakPolarHBondContact O-CB 3.36Å; F1093-Y1097 PolarHBondContact O-N 3.09Å; F1093-A1115 HydrophobicContact CE1-CB 4.3Å; F1093-Q1119 HydrophobicContact CD1-CB 4.46Å; F1093-Q1119 HydrophobicContact CD1-CG 3.5Å; F1093-Q1119 VanDerWaalsContact CD1-CG 3.5Å; F1093-Q1119 VanDerWaalsContact CD2-CD 3.42Å; F1093-Q1119 HydrophobicContact CD2-CG 3.42Å; F1093-Q1119 VanDerWaalsContact CD2-CG 3.42Å; F1093-Q1119 HydrophobicContact CE1-CB 4.33Å; F1093-Q1119 HydrophobicContact CE1-CG 3.24Å; F1093-Q1119 HydrophobicContact CE2-CG 3.24Å; F1093-Q1119 HydrophobicContact CG-CG 3.59Å; F1093-Q1119 HydrophobicContact CZ-CG 3.14Å |
| 1094 | D | 68.5 | Low | 67.1 | Low | 125 Ų | 125 | 76.7 Ų | 76.7 | 67% | 0.668 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.2 | -45.3 | 170.4 | -60.7 | -37.4 | 0 | 0 | 0 | 109.5 | N1092 A1096 Y1097 E1098 | N1092-D1094 PolarHBondContact OD1-N 2.85Å; D1094-A1096 VanDerWaalsContact C-N 3.25Å; D1094-A1096 PolarHBondContact O-N 2.88Å; D1094-Y1097 PolarHBondContact O-N 2.55Å; D1094-E1098 WeakPolarHBondContact O-CB 3.47Å; D1094-E1098 WeakPolarHBondContact O-CG 3.41Å; D1094-E1098 PolarHBondContact O-N 2.8Å |
| 1095 | R | 69.1 | Low | 67.3 | Low | 127 Ų | 127 | 77.1 Ų | 77.1 | 48% | 0.479 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.4 | -30.8 | 174.9 | -160.9 | 173.6 | -176.3 | -173.8 | 4 | 112.1 | N1092 F1093 F1099 | N1092-R1095 HydrophobicContact CB-CB 4.01Å; N1092-R1095 WeakPolarHBondContact O-CB 3.33Å; N1092-R1095 PolarHBondContact O-N 2.87Å; N1092-R1095 WeakPolarHBondContact OD1-CB 3.4Å; N1092-R1095 PolarHBondContact OD1-N 2.89Å; F1093-R1095 VanDerWaalsContact C-N 3.34Å; R1095-F1099 WeakPolarHBondContact O-CB 3.2Å; R1095-F1099 PolarHBondContact O-N 2.85Å |
| 1096 | A | 67.6 | Low | 67.3 | Low | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -77.3 | -36 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | I1087 N1092 F1093 D1094 F1099 A1100 L1112 | I1087-A1096 HydrophobicContact CG1-CB 3.98Å; N1092-A1096 PolarHBondContact O-N 2.79Å; F1093-A1096 CarbonylContact O-C 3.49Å; F1093-A1096 PolarHBondContact O-N 3.18Å; D1094-A1096 VanDerWaalsContact C-N 3.25Å; D1094-A1096 PolarHBondContact O-N 2.88Å; A1096-F1099 PolarHBondContact O-N 2.97Å; A1096-A1100 VanDerWaalsContact O-CB 3.26Å; A1096-A1100 WeakPolarHBondContact O-CB 3.32Å; A1096-A1100 PolarHBondContact O-N 3.02Å; A1096-L1112 HydrophobicContact CB-CD1 4.47Å |
| 1097 | Y | 69.2 | Low | 67.4 | Low | 76 Ų | 76 | 83.6 Ų | 83.6 | 30% | 0.298 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71 | -45.2 | 177.9 | -174.2 | -86.3 | 0 | 0 | 0 | 111.1 | F1093 D1094 F1099 A1100 E1101 W1109 L1112 Q1116 | F1093-Y1097 VanDerWaalsContact O-CB 3.27Å; F1093-Y1097 WeakPolarHBondContact O-CB 3.36Å; F1093-Y1097 PolarHBondContact O-N 3.09Å; D1094-Y1097 PolarHBondContact O-N 2.55Å; Y1097-F1099 VanDerWaalsContact C-N 3.29Å; Y1097-F1099 PolarHBondContact O-N 3.05Å; Y1097-A1100 CarbonylContact O-C 3.6Å; Y1097-A1100 PolarHBondContact O-N 3.32Å; Y1097-A1100 VanDerWaalsContact O-N 3.15Å; Y1097-E1101 WeakPolarHBondContact O-CB 3.45Å; Y1097-E1101 PolarHBondContact O-N 3.13Å; Y1097-W1109 HydrophobicContact CE2-CH2 4.26Å; Y1097-W1109 AromaticContact CE2-CZ3 3.92Å; Y1097-W1109 HydrophobicContact CE2-CZ3 3.92Å; Y1097-L1112 HydrophobicContact CD2-CD1 4.37Å; Y1097-L1112 HydrophobicContact CD2-CD2 3.45Å; Y1097-L1112 VanDerWaalsContact CD2-CD2 3.45Å; Y1097-L1112 HydrophobicContact CD2-CG 4.36Å; Y1097-L1112 HydrophobicContact CE2-CD2 3.97Å; Y1097-L1112 HydrophobicContact CG-CD2 4.23Å; Y1097-Q1116 VanDerWaalsContact CD2-NE2 3.28Å |
| 1098 | E | 71.6 | Confident | 67.7 | Low | 129 Ų | 129 | 83.6 Ų | 83.6 | 60% | 0.603 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.2 | -40.4 | 171.3 | -73.7 | -175.2 | 174 | 0 | 0 | 111.6 | D1094 A1100 R1102 | D1094-E1098 WeakPolarHBondContact O-CB 3.47Å; D1094-E1098 WeakPolarHBondContact O-CG 3.41Å; D1094-E1098 PolarHBondContact O-N 2.8Å; E1098-A1100 VanDerWaalsContact C-N 3.34Å; E1098-R1102 WeakPolarHBondContact O-CB 3.38Å; E1098-R1102 WeakPolarHBondContact O-CG 3.43Å; E1098-R1102 PolarHBondContact O-N 3.08Å |
| 1099 | F | 69.9 | Low | 68.2 | Low | 69 Ų | 69 | 81.5 Ų | 81.5 | 30% | 0.303 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 174.8 | -173.4 | -97.3 | 0 | 0 | 0 | 111.2 | I1083 R1095 A1096 Y1097 C1103 | I1083-F1099 HydrophobicContact CB-CD1 4.24Å; I1083-F1099 HydrophobicContact CB-CE1 4.02Å; I1083-F1099 HydrophobicContact CD1-CD1 3.54Å; I1083-F1099 HydrophobicContact CD1-CE1 3.99Å; I1083-F1099 HydrophobicContact CG1-CD1 3.79Å; I1083-F1099 HydrophobicContact CG1-CE1 4.09Å; R1095-F1099 WeakPolarHBondContact O-CB 3.2Å; R1095-F1099 PolarHBondContact O-N 2.85Å; A1096-F1099 PolarHBondContact O-N 2.97Å; Y1097-F1099 VanDerWaalsContact C-N 3.29Å; Y1097-F1099 PolarHBondContact O-N 3.05Å; F1099-C1103 PolarHBondContact O-N 3.03Å; F1099-C1103 VanDerWaalsContact O-N 3.11Å; F1099-C1103 PolarHBondContact O-SG 3.15Å |
| 1100 | A | 70.1 | Confident | 68.9 | Low | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -71.9 | -40.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1096 Y1097 E1098 R1102 C1103 N1104 V1108 L1112 | A1096-A1100 VanDerWaalsContact O-CB 3.26Å; A1096-A1100 WeakPolarHBondContact O-CB 3.32Å; A1096-A1100 PolarHBondContact O-N 3.02Å; Y1097-A1100 CarbonylContact O-C 3.6Å; Y1097-A1100 PolarHBondContact O-N 3.32Å; Y1097-A1100 VanDerWaalsContact O-N 3.15Å; E1098-A1100 VanDerWaalsContact C-N 3.34Å; A1100-R1102 VanDerWaalsContact C-N 3.32Å; A1100-C1103 PolarHBondContact O-N 3.09Å; A1100-N1104 PolarHBondContact O-N 3.14Å; A1100-V1108 HydrophobicContact CB-CG1 3.65Å; A1100-L1112 HydrophobicContact CB-CB 3.89Å; A1100-L1112 HydrophobicContact CB-CD1 4.18Å; A1100-L1112 HydrophobicContact CB-CD2 3.43Å; A1100-L1112 VanDerWaalsContact CB-CD2 3.43Å; A1100-L1112 HydrophobicContact CB-CG 4.01Å |
| 1101 | E | 68.3 | Low | 69.1 | Low | 113 Ų | 113 | 81.1 Ų | 81.1 | 53% | 0.528 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.7 | -35 | 175.6 | -165 | 175.3 | -145.5 | 0 | 0 | 111.1 | Y1097 W1109 | Y1097-E1101 WeakPolarHBondContact O-CB 3.45Å; Y1097-E1101 PolarHBondContact O-N 3.13Å; E1101-W1109 HydrophobicContact CB-CH2 4.37Å; E1101-W1109 HydrophobicContact CB-CZ2 4.42Å; E1101-W1109 HydrophobicContact CG-CH2 4.5Å; E1101-W1109 HydrophobicContact CG-CZ2 4.46Å |
| 1102 | R | 64.1 | Low | 69.7 | Low | 228 Ų | 228 | 74.5 Ų | 74.5 | 86% | 0.86 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.7 | -40.4 | 171.3 | -89.7 | -176 | 173.6 | -178.8 | 1 | 113.4 | E1098 A1100 | E1098-R1102 WeakPolarHBondContact O-CB 3.38Å; E1098-R1102 WeakPolarHBondContact O-CG 3.43Å; E1098-R1102 PolarHBondContact O-N 3.08Å; A1100-R1102 VanDerWaalsContact C-N 3.32Å |
| 1103 | C | 68.9 | Low | 69.7 | Low | 53 Ų | 53 | 71.4 Ų | 71.4 | 36% | 0.358 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -78.7 | -33.3 | -179.8 | -67.4 | 0 | 0 | 0 | 0 | 112.3 | F1099 A1100 E1105 V1108 | F1099-C1103 PolarHBondContact O-N 3.03Å; F1099-C1103 VanDerWaalsContact O-N 3.11Å; F1099-C1103 PolarHBondContact O-SG 3.15Å; A1100-C1103 PolarHBondContact O-N 3.09Å; C1103-E1105 PolarHBondContact O-N 3.28Å; C1103-V1108 HydrophobicContact CB-CB 4.38Å; C1103-V1108 HydrophobicContact CB-CG1 4.23Å; C1103-V1108 HydrophobicContact CB-CG2 4.12Å |
| 1104 | N | 65.9 | Low | 70.2 | Confident | 112 Ų | 112 | 73.1 Ų | 73.1 | 60% | 0.599 | 36% | 0.36 | S | S | * | . | trans | 45 | 32.4 | 179.5 | -161.3 | 30 | 0 | 0 | 0 | 115.7 | A1100 W1109 | A1100-N1104 PolarHBondContact O-N 3.14Å; N1104-W1109 PolarHBondContact OD1-NE1 2.86Å | ||
| 1105 | E | 68.6 | Low | 70.2 | Confident | 112 Ų | 112 | 67.4 Ų | 67.4 | 52% | 0.523 | 33% | 0.33 | S | S | . | . | trans | -94.9 | 140.3 | 178.2 | -73.5 | -177.8 | 172.7 | 0 | 0 | 110.8 | C1103 A1107 V1108 W1109 | C1103-E1105 PolarHBondContact O-N 3.28Å; E1105-A1107 PolarHBondContact O-N 3.33Å; E1105-A1107 VanDerWaalsContact O-N 3.15Å; E1105-V1108 HydrophobicContact CB-CB 4.24Å; E1105-V1108 HydrophobicContact CB-CG2 3.95Å; E1105-V1108 CarbonylContact O-C 3.53Å; E1105-V1108 PolarHBondContact O-N 3.47Å; E1105-W1109 VanDerWaalsContact O-CD1 3.29Å; E1105-W1109 PolarHBondContact O-N 2.97Å | ||
| 1106 | P | 66.6 | Low | 70.6 | Confident | 102 Ų | 102 | 62.1 Ų | 62.1 | 66% | 0.662 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -54.2 | -34.7 | 175.6 | -26.5 | 34.3 | 0 | 0 | 0 | 113.4 | S1110 | P1106-S1110 VanDerWaalsContact O-CB 3.27Å; P1106-S1110 WeakPolarHBondContact O-CB 3.5Å; P1106-S1110 PolarHBondContact O-N 3.34Å; P1106-S1110 PolarHBondContact O-OG 3.09Å |
| 1107 | A | 68.1 | Low | 70.8 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1105 S1110 L1111 | E1105-A1107 PolarHBondContact O-N 3.33Å; E1105-A1107 VanDerWaalsContact O-N 3.15Å; A1107-S1110 PolarHBondContact O-N 3.21Å; A1107-S1110 PolarHBondContact O-OG 3.12Å; A1107-L1111 WeakPolarHBondContact O-CB 3.22Å; A1107-L1111 PolarHBondContact O-N 3.41Å |
| 1108 | V | 72.2 | Confident | 70.8 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 12% | 0.115 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.6 | -38 | 177 | -175 | 0 | 0 | 0 | 0 | 111 | I1083 A1100 C1103 E1105 S1110 L1111 L1112 | I1083-V1108 HydrophobicContact CD1-CG1 4.48Å; A1100-V1108 HydrophobicContact CB-CG1 3.65Å; C1103-V1108 HydrophobicContact CB-CB 4.38Å; C1103-V1108 HydrophobicContact CB-CG1 4.23Å; C1103-V1108 HydrophobicContact CB-CG2 4.12Å; E1105-V1108 HydrophobicContact CB-CB 4.24Å; E1105-V1108 HydrophobicContact CB-CG2 3.95Å; E1105-V1108 CarbonylContact O-C 3.53Å; E1105-V1108 PolarHBondContact O-N 3.47Å; V1108-S1110 VanDerWaalsContact C-N 3.34Å; V1108-L1111 PolarHBondContact O-N 3.1Å; V1108-L1112 WeakPolarHBondContact O-CB 3.23Å; V1108-L1112 PolarHBondContact O-N 2.94Å |
| 1109 | W | 76 | Confident | 70.9 | Confident | 31 Ų | 31 | 62 Ų | 62 | 12% | 0.117 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.6 | -31.7 | 170.6 | -77.3 | 113.2 | 0 | 0 | 0 | 112.8 | Y1097 E1101 N1104 E1105 L1112 A1113 | Y1097-W1109 HydrophobicContact CE2-CH2 4.26Å; Y1097-W1109 AromaticContact CE2-CZ3 3.92Å; Y1097-W1109 HydrophobicContact CE2-CZ3 3.92Å; E1101-W1109 HydrophobicContact CB-CH2 4.37Å; E1101-W1109 HydrophobicContact CB-CZ2 4.42Å; E1101-W1109 HydrophobicContact CG-CH2 4.5Å; E1101-W1109 HydrophobicContact CG-CZ2 4.46Å; N1104-W1109 PolarHBondContact OD1-NE1 2.86Å; E1105-W1109 VanDerWaalsContact O-CD1 3.29Å; E1105-W1109 PolarHBondContact O-N 2.97Å; W1109-L1112 HydrophobicContact CE3-CD2 3.6Å; W1109-L1112 HydrophobicContact CH2-CD2 4.43Å; W1109-L1112 HydrophobicContact CZ3-CD2 3.49Å; W1109-L1112 VanDerWaalsContact CZ3-CD2 3.49Å; W1109-A1113 WeakPolarHBondContact O-CA 3.29Å; W1109-A1113 WeakPolarHBondContact O-CB 3.16Å; W1109-A1113 PolarHBondContact O-N 3.23Å |
| 1110 | S | 73.4 | Confident | 70.9 | Confident | 34 Ų | 34 | 60.8 Ų | 60.8 | 24% | 0.238 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -73.3 | -38.3 | 173.6 | 79.6 | 0 | 0 | 0 | 0 | 111.7 | P1106 A1107 V1108 H1114 | P1106-S1110 VanDerWaalsContact O-CB 3.27Å; P1106-S1110 WeakPolarHBondContact O-CB 3.5Å; P1106-S1110 PolarHBondContact O-N 3.34Å; P1106-S1110 PolarHBondContact O-OG 3.09Å; A1107-S1110 PolarHBondContact O-N 3.21Å; A1107-S1110 PolarHBondContact O-OG 3.12Å; V1108-S1110 VanDerWaalsContact C-N 3.34Å; S1110-H1114 WeakPolarHBondContact O-CB 3.44Å; S1110-H1114 PolarHBondContact O-N 3.2Å |
| 1111 | L | 69.6 | Low | 71.1 | Confident | 71 Ų | 71 | 62.9 Ų | 62.9 | 37% | 0.372 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 173.8 | -86.5 | 156 | 0 | 0 | 0 | 110.8 | A1107 V1108 H1114 A1115 | A1107-L1111 WeakPolarHBondContact O-CB 3.22Å; A1107-L1111 PolarHBondContact O-N 3.41Å; V1108-L1111 PolarHBondContact O-N 3.1Å; L1111-H1114 PolarHBondContact O-N 3.09Å; L1111-A1115 VanDerWaalsContact O-CB 3.22Å; L1111-A1115 WeakPolarHBondContact O-CB 3.4Å; L1111-A1115 PolarHBondContact O-N 3.01Å |
| 1112 | L | 77 | Confident | 71.2 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.7 | -46.9 | 173.5 | -178.9 | 71.4 | 0 | 0 | 0 | 110.8 | A1096 Y1097 A1100 V1108 W1109 H1114 A1115 Q1116 | A1096-L1112 HydrophobicContact CB-CD1 4.47Å; Y1097-L1112 HydrophobicContact CD2-CD1 4.37Å; Y1097-L1112 HydrophobicContact CD2-CD2 3.45Å; Y1097-L1112 VanDerWaalsContact CD2-CD2 3.45Å; Y1097-L1112 HydrophobicContact CD2-CG 4.36Å; Y1097-L1112 HydrophobicContact CE2-CD2 3.97Å; Y1097-L1112 HydrophobicContact CG-CD2 4.23Å; A1100-L1112 HydrophobicContact CB-CB 3.89Å; A1100-L1112 HydrophobicContact CB-CD1 4.18Å; A1100-L1112 HydrophobicContact CB-CD2 3.43Å; A1100-L1112 VanDerWaalsContact CB-CD2 3.43Å; A1100-L1112 HydrophobicContact CB-CG 4.01Å; V1108-L1112 WeakPolarHBondContact O-CB 3.23Å; V1108-L1112 PolarHBondContact O-N 2.94Å; W1109-L1112 HydrophobicContact CE3-CD2 3.6Å; W1109-L1112 HydrophobicContact CH2-CD2 4.43Å; W1109-L1112 HydrophobicContact CZ3-CD2 3.49Å; W1109-L1112 VanDerWaalsContact CZ3-CD2 3.49Å; L1112-H1114 PolarHBondContact O-N 3.47Å; L1112-A1115 CarbonylContact O-C 3.55Å; L1112-A1115 PolarHBondContact O-N 3.27Å; L1112-A1115 VanDerWaalsContact O-N 3.09Å; L1112-Q1116 HydrophobicContact CD1-CG 4.2Å; L1112-Q1116 HydrophobicContact CG-CG 4.11Å; L1112-Q1116 VanDerWaalsContact O-CB 3.23Å; L1112-Q1116 WeakPolarHBondContact O-CB 3.5Å; L1112-Q1116 WeakPolarHBondContact O-CG 3.46Å; L1112-Q1116 PolarHBondContact O-N 2.89Å |
| 1113 | A | 73.3 | Confident | 71.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.9 | -36.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | W1109 L1117 Y1129 | W1109-A1113 WeakPolarHBondContact O-CA 3.29Å; W1109-A1113 WeakPolarHBondContact O-CB 3.16Å; W1109-A1113 PolarHBondContact O-N 3.23Å; A1113-L1117 WeakPolarHBondContact O-CB 3.49Å; A1113-L1117 PolarHBondContact O-N 3.16Å; A1113-Y1129 HydrophobicContact CB-CD1 4.29Å; A1113-Y1129 HydrophobicContact CB-CD2 3.91Å; A1113-Y1129 HydrophobicContact CB-CE1 4.17Å; A1113-Y1129 HydrophobicContact CB-CE2 3.75Å; A1113-Y1129 HydrophobicContact CB-CG 4.16Å |
| 1114 | H | 75.4 | Confident | 71.7 | Confident | 78 Ų | 78 | 54.7 Ų | 54.7 | 36% | 0.361 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.3 | -42.9 | 172.6 | -176.9 | 55.3 | 0 | 0 | 0 | 112.5 | S1110 L1111 L1112 L1117 A1118 R1137 | S1110-H1114 WeakPolarHBondContact O-CB 3.44Å; S1110-H1114 PolarHBondContact O-N 3.2Å; L1111-H1114 PolarHBondContact O-N 3.09Å; L1112-H1114 PolarHBondContact O-N 3.47Å; H1114-L1117 PolarHBondContact O-N 3.45Å; H1114-A1118 VanDerWaalsContact O-CB 3.32Å; H1114-A1118 WeakPolarHBondContact O-CB 3.48Å; H1114-A1118 PolarHBondContact O-N 2.86Å; H1114-R1137 PolarHBondContact ND1-NH1 3.22Å; H1114-R1137 VanDerWaalsContact ND1-NH1 3.19Å |
| 1115 | A | 70.1 | Confident | 72.1 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | I1087 F1093 L1111 L1112 A1118 Q1119 | I1087-A1115 HydrophobicContact CD1-CB 4Å; I1087-A1115 HydrophobicContact CG1-CB 4.29Å; I1087-A1115 HydrophobicContact CG2-CB 3.86Å; F1093-A1115 HydrophobicContact CE1-CB 4.3Å; L1111-A1115 VanDerWaalsContact O-CB 3.22Å; L1111-A1115 WeakPolarHBondContact O-CB 3.4Å; L1111-A1115 PolarHBondContact O-N 3.01Å; L1112-A1115 CarbonylContact O-C 3.55Å; L1112-A1115 PolarHBondContact O-N 3.27Å; L1112-A1115 VanDerWaalsContact O-N 3.09Å; A1115-A1118 CarbonylContact O-C 3.6Å; A1115-A1118 PolarHBondContact O-N 2.62Å; A1115-Q1119 WeakPolarHBondContact O-CB 3.48Å; A1115-Q1119 PolarHBondContact O-N 2.95Å |
| 1116 | Q | 77.1 | Confident | 72.5 | Confident | 15 Ų | 15 | 44.3 Ų | 44.3 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 173.3 | -74.1 | 174.5 | -32.9 | 0 | 0 | 110.8 | Y1097 L1112 A1118 Q1119 G1120 S1121 A1125 S1128 | Y1097-Q1116 VanDerWaalsContact CD2-NE2 3.28Å; L1112-Q1116 HydrophobicContact CD1-CG 4.2Å; L1112-Q1116 HydrophobicContact CG-CG 4.11Å; L1112-Q1116 VanDerWaalsContact O-CB 3.23Å; L1112-Q1116 WeakPolarHBondContact O-CB 3.5Å; L1112-Q1116 WeakPolarHBondContact O-CG 3.46Å; L1112-Q1116 PolarHBondContact O-N 2.89Å; Q1116-A1118 VanDerWaalsContact C-N 3.31Å; Q1116-Q1119 PolarHBondContact O-N 3.06Å; Q1116-G1120 PolarHBondContact O-N 3.14Å; Q1116-G1120 VanDerWaalsContact O-N 3.11Å; Q1116-S1121 PolarHBondContact O-N 2.82Å; Q1116-A1125 HydrophobicContact CB-CB 3.97Å; Q1116-S1128 PolarHBondContact OE1-OG 2.86Å |
| 1117 | L | 72.3 | Confident | 72.9 | Confident | 24 Ų | 24 | 42.9 Ų | 42.9 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.8 | -39 | 173 | -171.5 | 133 | 0 | 0 | 0 | 111 | A1113 H1114 G1120 A1125 Y1129 A1140 V1141 A1144 | A1113-L1117 WeakPolarHBondContact O-CB 3.49Å; A1113-L1117 PolarHBondContact O-N 3.16Å; H1114-L1117 PolarHBondContact O-N 3.45Å; L1117-G1120 PolarHBondContact O-N 3.15Å; L1117-A1125 HydrophobicContact CB-CB 3.87Å; L1117-A1125 HydrophobicContact CD1-CB 4.49Å; L1117-Y1129 HydrophobicContact CB-CE2 4.37Å; L1117-Y1129 HydrophobicContact CD1-CD2 4.4Å; L1117-Y1129 HydrophobicContact CD1-CE2 3.7Å; L1117-A1140 HydrophobicContact CD2-CB 4.1Å; L1117-V1141 HydrophobicContact CD1-CB 4.39Å; L1117-V1141 HydrophobicContact CD1-CG2 3.93Å; L1117-A1144 HydrophobicContact CD1-CB 3.65Å; L1117-A1144 HydrophobicContact CD2-CB 3.76Å; L1117-A1144 HydrophobicContact CG-CB 3.43Å; L1117-A1144 VanDerWaalsContact CG-CB 3.43Å |
| 1118 | A | 68.9 | Low | 73.3 | Confident | 82 Ų | 82 | 40.5 Ų | 40.5 | 68% | 0.678 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -71.3 | -31.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H1114 A1115 Q1116 G1120 | H1114-A1118 VanDerWaalsContact O-CB 3.32Å; H1114-A1118 WeakPolarHBondContact O-CB 3.48Å; H1114-A1118 PolarHBondContact O-N 2.86Å; A1115-A1118 CarbonylContact O-C 3.6Å; A1115-A1118 PolarHBondContact O-N 2.62Å; Q1116-A1118 VanDerWaalsContact C-N 3.31Å; A1118-G1120 VanDerWaalsContact C-N 3.26Å; A1118-G1120 PolarHBondContact O-N 3.13Å |
| 1119 | Q | 72.4 | Confident | 73.5 | Confident | 98 Ų | 98 | 39.7 Ų | 39.7 | 46% | 0.458 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -74.1 | -12.1 | 171.6 | -100.7 | -76.4 | -45.5 | 0 | 0 | 114.1 | F1093 A1115 Q1116 S1121 | F1093-Q1119 HydrophobicContact CD1-CB 4.46Å; F1093-Q1119 HydrophobicContact CD1-CG 3.5Å; F1093-Q1119 VanDerWaalsContact CD1-CG 3.5Å; F1093-Q1119 VanDerWaalsContact CD2-CD 3.42Å; F1093-Q1119 HydrophobicContact CD2-CG 3.42Å; F1093-Q1119 VanDerWaalsContact CD2-CG 3.42Å; F1093-Q1119 HydrophobicContact CE1-CB 4.33Å; F1093-Q1119 HydrophobicContact CE1-CG 3.24Å; F1093-Q1119 HydrophobicContact CE2-CG 3.24Å; F1093-Q1119 HydrophobicContact CG-CG 3.59Å; F1093-Q1119 HydrophobicContact CZ-CG 3.14Å; A1115-Q1119 WeakPolarHBondContact O-CB 3.48Å; A1115-Q1119 PolarHBondContact O-N 2.95Å; Q1116-Q1119 PolarHBondContact O-N 3.06Å; Q1119-S1121 VanDerWaalsContact C-N 3.29Å |
| 1120 | G | 71.5 | Confident | 73.6 | Confident | 43 Ų | 43 | 40.7 Ų | 40.7 | 44% | 0.443 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | 5.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q1116 L1117 A1118 I1122 | Q1116-G1120 PolarHBondContact O-N 3.14Å; Q1116-G1120 VanDerWaalsContact O-N 3.11Å; L1117-G1120 PolarHBondContact O-N 3.15Å; A1118-G1120 VanDerWaalsContact C-N 3.26Å; A1118-G1120 PolarHBondContact O-N 3.13Å; G1120-I1122 WeakPolarHBondContact O-CD1 3.49Å; G1120-I1122 WeakPolarHBondContact O-CG1 3.42Å; G1120-I1122 PolarHBondContact O-N 2.83Å |
| 1121 | S | 73.3 | Confident | 73.4 | Confident | 43 Ų | 43 | 46.3 Ų | 46.3 | 30% | 0.301 | 25% | 0.252 | S | S | . | . | trans | -72.9 | 65.7 | 168.5 | -68.3 | 0 | 0 | 0 | 0 | 109.9 | Q1116 Q1119 E1124 A1125 | Q1116-S1121 PolarHBondContact O-N 2.82Å; Q1119-S1121 VanDerWaalsContact C-N 3.29Å; S1121-E1124 VanDerWaalsContact CA-OE2 3.26Å; S1121-E1124 WeakPolarHBondContact CA-OE2 3.46Å; S1121-E1124 WeakPolarHBondContact CB-OE2 3.39Å; S1121-E1124 PolarHBondContact O-N 3.43Å; S1121-A1125 VanDerWaalsContact O-CB 3.25Å; S1121-A1125 WeakPolarHBondContact O-CB 3.5Å; S1121-A1125 PolarHBondContact O-N 3.21Å | ||
| 1122 | I | 70.5 | Confident | 73.5 | Confident | 11 Ų | 11 | 44.6 Ų | 44.6 | 6% | 0.056 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -75.8 | -32.4 | -163 | -75.7 | 149.9 | 0 | 0 | 0 | 111.9 | G1120 A1125 I1126 A1144 A1145 S1148 | G1120-I1122 WeakPolarHBondContact O-CD1 3.49Å; G1120-I1122 WeakPolarHBondContact O-CG1 3.42Å; G1120-I1122 PolarHBondContact O-N 2.83Å; I1122-A1125 PolarHBondContact O-N 3.47Å; I1122-I1126 HydrophobicContact CG2-CD1 3.77Å; I1122-I1126 HydrophobicContact CG2-CG1 4.31Å; I1122-I1126 WeakPolarHBondContact O-CB 3.25Å; I1122-I1126 WeakPolarHBondContact O-CG1 3.37Å; I1122-I1126 PolarHBondContact O-N 2.82Å; I1122-A1144 HydrophobicContact CD1-CB 4.19Å; I1122-A1144 WeakPolarHBondContact CD1-O 3.42Å; I1122-A1144 HydrophobicContact CG1-CB 4Å; I1122-A1145 HydrophobicContact CG2-CB 4.17Å; I1122-S1148 VanDerWaalsContact CD1-OG 3.3Å; I1122-S1148 WeakPolarHBondContact CD1-OG 3.35Å; I1122-S1148 WeakPolarHBondContact CG2-OG 3.42Å |
| 1123 | K | 70.6 | Confident | 72.9 | Confident | 116 Ų | 116 | 47.7 Ų | 47.7 | 50% | 0.504 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66 | -46.5 | 174.1 | -170 | 178.5 | -179.2 | 179.1 | 0 | 110.4 | A1125 I1126 D1127 | K1123-A1125 VanDerWaalsContact C-N 3.34Å; K1123-A1125 PolarHBondContact O-N 2.9Å; K1123-I1126 PolarHBondContact O-N 2.85Å; K1123-D1127 WeakPolarHBondContact O-CB 3.3Å; K1123-D1127 PolarHBondContact O-N 2.8Å |
| 1124 | E | 72.5 | Confident | 72.6 | Confident | 95 Ų | 95 | 49.9 Ų | 49.9 | 44% | 0.444 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 175.9 | -59.3 | 81.7 | -178 | 0 | 0 | 111.4 | S1121 D1127 S1128 | S1121-E1124 VanDerWaalsContact CA-OE2 3.26Å; S1121-E1124 WeakPolarHBondContact CA-OE2 3.46Å; S1121-E1124 WeakPolarHBondContact CB-OE2 3.39Å; S1121-E1124 PolarHBondContact O-N 3.43Å; E1124-D1127 PolarHBondContact O-N 3.41Å; E1124-S1128 VanDerWaalsContact O-CB 3.3Å; E1124-S1128 WeakPolarHBondContact O-CB 3.21Å; E1124-S1128 PolarHBondContact O-N 3.42Å; E1124-S1128 PolarHBondContact O-OG 3.32Å |
| 1125 | A | 75.5 | Confident | 72.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.9 | -46.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q1116 L1117 S1121 I1122 K1123 D1127 S1128 Y1129 | Q1116-A1125 HydrophobicContact CB-CB 3.97Å; L1117-A1125 HydrophobicContact CB-CB 3.87Å; L1117-A1125 HydrophobicContact CD1-CB 4.49Å; S1121-A1125 VanDerWaalsContact O-CB 3.25Å; S1121-A1125 WeakPolarHBondContact O-CB 3.5Å; S1121-A1125 PolarHBondContact O-N 3.21Å; I1122-A1125 PolarHBondContact O-N 3.47Å; K1123-A1125 VanDerWaalsContact C-N 3.34Å; K1123-A1125 PolarHBondContact O-N 2.9Å; A1125-D1127 VanDerWaalsContact C-N 3.32Å; A1125-D1127 PolarHBondContact O-N 2.87Å; A1125-S1128 CarbonylContact O-C 3.5Å; A1125-S1128 PolarHBondContact O-N 3.38Å; A1125-Y1129 WeakPolarHBondContact O-CB 3.46Å; A1125-Y1129 WeakPolarHBondContact O-CD2 3.4Å; A1125-Y1129 PolarHBondContact O-N 2.99Å |
| 1126 | I | 76.5 | Confident | 72 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 175.5 | -70 | 167.8 | 0 | 0 | 0 | 109.5 | I1122 K1123 S1128 Y1129 V1130 V1141 A1145 D1153 | I1122-I1126 HydrophobicContact CG2-CD1 3.77Å; I1122-I1126 HydrophobicContact CG2-CG1 4.31Å; I1122-I1126 WeakPolarHBondContact O-CB 3.25Å; I1122-I1126 WeakPolarHBondContact O-CG1 3.37Å; I1122-I1126 PolarHBondContact O-N 2.82Å; K1123-I1126 PolarHBondContact O-N 2.85Å; I1126-S1128 VanDerWaalsContact C-N 3.34Å; I1126-S1128 PolarHBondContact O-N 3.33Å; I1126-Y1129 PolarHBondContact O-N 3.31Å; I1126-V1130 HydrophobicContact CG2-CG2 4.11Å; I1126-V1130 VanDerWaalsContact O-CB 3.29Å; I1126-V1130 WeakPolarHBondContact O-CB 3.41Å; I1126-V1130 WeakPolarHBondContact O-CG2 3.4Å; I1126-V1130 PolarHBondContact O-N 2.87Å; I1126-V1141 HydrophobicContact CG1-CG1 3.9Å; I1126-A1145 HydrophobicContact CD1-CB 4.1Å; I1126-D1153 HydrophobicContact CD1-CB 3.9Å |
| 1127 | D | 74.7 | Confident | 71.8 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 174.9 | -76.1 | -23.2 | 0 | 0 | 0 | 111.6 | K1123 E1124 A1125 V1130 K1131 | K1123-D1127 WeakPolarHBondContact O-CB 3.3Å; K1123-D1127 PolarHBondContact O-N 2.8Å; E1124-D1127 PolarHBondContact O-N 3.41Å; A1125-D1127 VanDerWaalsContact C-N 3.32Å; A1125-D1127 PolarHBondContact O-N 2.87Å; D1127-V1130 PolarHBondContact O-N 3.23Å; D1127-K1131 WeakPolarHBondContact O-CB 3.49Å; D1127-K1131 VanDerWaalsContact O-CG 3.27Å; D1127-K1131 WeakPolarHBondContact O-CG 3.49Å; D1127-K1131 PolarHBondContact O-N 3.08Å |
| 1128 | S | 75.6 | Confident | 71.8 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65 | -40.5 | 174.8 | -67.7 | 0 | 0 | 0 | 0 | 112.2 | Q1116 E1124 A1125 I1126 K1131 A1132 | Q1116-S1128 PolarHBondContact OE1-OG 2.86Å; E1124-S1128 VanDerWaalsContact O-CB 3.3Å; E1124-S1128 WeakPolarHBondContact O-CB 3.21Å; E1124-S1128 PolarHBondContact O-N 3.42Å; E1124-S1128 PolarHBondContact O-OG 3.32Å; A1125-S1128 CarbonylContact O-C 3.5Å; A1125-S1128 PolarHBondContact O-N 3.38Å; I1126-S1128 VanDerWaalsContact C-N 3.34Å; I1126-S1128 PolarHBondContact O-N 3.33Å; S1128-K1131 PolarHBondContact O-N 3.24Å; S1128-A1132 WeakPolarHBondContact O-CB 3.43Å; S1128-A1132 PolarHBondContact O-N 2.98Å |
| 1129 | Y | 78.4 | Confident | 72.1 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.7 | -39.2 | 174.1 | -83.6 | -65.3 | 0 | 0 | 0 | 112.2 | A1113 L1117 A1125 I1126 A1132 S1133 D1134 R1137 V1141 | A1113-Y1129 HydrophobicContact CB-CD1 4.29Å; A1113-Y1129 HydrophobicContact CB-CD2 3.91Å; A1113-Y1129 HydrophobicContact CB-CE1 4.17Å; A1113-Y1129 HydrophobicContact CB-CE2 3.75Å; A1113-Y1129 HydrophobicContact CB-CG 4.16Å; L1117-Y1129 HydrophobicContact CB-CE2 4.37Å; L1117-Y1129 HydrophobicContact CD1-CD2 4.4Å; L1117-Y1129 HydrophobicContact CD1-CE2 3.7Å; A1125-Y1129 WeakPolarHBondContact O-CB 3.46Å; A1125-Y1129 WeakPolarHBondContact O-CD2 3.4Å; A1125-Y1129 PolarHBondContact O-N 2.99Å; I1126-Y1129 PolarHBondContact O-N 3.31Å; Y1129-A1132 CarbonylContact O-C 3.6Å; Y1129-A1132 PolarHBondContact O-N 3.31Å; Y1129-S1133 PolarHBondContact O-N 3.29Å; Y1129-D1134 PolarHBondContact O-N 2.58Å; Y1129-R1137 HydrophobicContact CE1-CB 4.25Å; Y1129-V1141 HydrophobicContact CD1-CG2 4.36Å; Y1129-V1141 HydrophobicContact CD2-CG2 3.41Å; Y1129-V1141 VanDerWaalsContact CD2-CG2 3.41Å; Y1129-V1141 HydrophobicContact CE1-CG2 4.45Å; Y1129-V1141 HydrophobicContact CE2-CG2 3.56Å; Y1129-V1141 HydrophobicContact CG-CG2 3.87Å |
| 1130 | V | 76.4 | Confident | 72.1 | Confident | 52 Ų | 52 | 53.8 Ų | 53.8 | 32% | 0.315 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67 | -39.8 | 174.9 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | I1126 D1127 S1133 Y1157 | I1126-V1130 HydrophobicContact CG2-CG2 4.11Å; I1126-V1130 VanDerWaalsContact O-CB 3.29Å; I1126-V1130 WeakPolarHBondContact O-CB 3.41Å; I1126-V1130 WeakPolarHBondContact O-CG2 3.4Å; I1126-V1130 PolarHBondContact O-N 2.87Å; D1127-V1130 PolarHBondContact O-N 3.23Å; V1130-S1133 WeakPolarHBondContact O-CA 3.46Å; V1130-S1133 PolarHBondContact O-N 3.12Å; V1130-S1133 PolarHBondContact O-OG 3.47Å; V1130-Y1157 HydrophobicContact CG2-CD2 4.33Å |
| 1131 | K | 70.3 | Confident | 72.3 | Confident | 151 Ų | 151 | 51.8 Ų | 51.8 | 66% | 0.657 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.5 | -42.9 | 172.2 | -79.7 | 176.9 | -178.6 | 177.1 | 0 | 112.1 | D1127 S1128 S1133 | D1127-K1131 WeakPolarHBondContact O-CB 3.49Å; D1127-K1131 VanDerWaalsContact O-CG 3.27Å; D1127-K1131 WeakPolarHBondContact O-CG 3.49Å; D1127-K1131 PolarHBondContact O-N 3.08Å; S1128-K1131 PolarHBondContact O-N 3.24Å; K1131-S1133 PolarHBondContact O-N 2.89Å |
| 1132 | A | 70.5 | Confident | 72.2 | Confident | 36 Ų | 36 | 49.8 Ų | 49.8 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.6 | -14.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1128 Y1129 D1134 | S1128-A1132 WeakPolarHBondContact O-CB 3.43Å; S1128-A1132 PolarHBondContact O-N 2.98Å; Y1129-A1132 CarbonylContact O-C 3.6Å; Y1129-A1132 PolarHBondContact O-N 3.31Å; A1132-D1134 HydrophobicContact CB-CB 4.01Å; A1132-D1134 PolarHBondContact O-N 3.26Å; A1132-D1134 VanDerWaalsContact O-N 3.11Å |
| 1133 | S | 65.1 | Low | 72.4 | Confident | 65 Ų | 65 | 55.1 Ų | 55.1 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 27.6 | -175 | -67.3 | 0 | 0 | 0 | 0 | 113.2 | Y1129 V1130 K1131 P1135 K1164 | Y1129-S1133 PolarHBondContact O-N 3.29Å; V1130-S1133 WeakPolarHBondContact O-CA 3.46Å; V1130-S1133 PolarHBondContact O-N 3.12Å; V1130-S1133 PolarHBondContact O-OG 3.47Å; K1131-S1133 PolarHBondContact O-N 2.89Å; S1133-P1135 WeakPolarHBondContact O-CD 3.5Å; S1133-K1164 PolarHBondContact O-NZ 2.88Å |
| 1134 | D | 66 | Low | 72.5 | Confident | 47 Ų | 47 | 50 Ų | 50 | 25% | 0.251 | 27% | 0.265 | S | S | . | . | trans | -104.3 | 109.9 | -166.9 | -174 | 12.3 | 0 | 0 | 0 | 111.1 | Y1129 A1132 S1136 | Y1129-D1134 PolarHBondContact O-N 2.58Å; A1132-D1134 HydrophobicContact CB-CB 4.01Å; A1132-D1134 PolarHBondContact O-N 3.26Å; A1132-D1134 VanDerWaalsContact O-N 3.11Å; D1134-S1136 VanDerWaalsContact C-N 3.29Å; D1134-S1136 WeakPolarHBondContact OD1-CB 3.45Å; D1134-S1136 PolarHBondContact OD1-N 2.99Å; D1134-S1136 PolarHBondContact OD1-OG 3.43Å; D1134-S1136 PolarHBondContact OD2-OG 3.36Å | ||
| 1135 | P | 65.1 | Low | 72.5 | Confident | 35 Ų | 35 | 45.5 Ų | 45.5 | 23% | 0.227 | 24% | 0.244 | C | C | . | . | trans | -82.1 | -3 | 173 | 34 | -33.4 | 0 | 0 | 0 | 112.9 | S1133 R1137 F1138 | S1133-P1135 WeakPolarHBondContact O-CD 3.5Å; P1135-R1137 PolarHBondContact O-N 2.95Å; P1135-F1138 VanDerWaalsContact O-CD1 3.27Å; P1135-F1138 WeakPolarHBondContact O-CD1 3.04Å; P1135-F1138 PolarHBondContact O-N 3.35Å; P1135-F1138 VanDerWaalsContact O-N 3.13Å | ||
| 1136 | S | 69.6 | Low | 72.3 | Confident | 75 Ų | 75 | 46.2 Ų | 46.2 | 52% | 0.524 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -32.9 | -167.3 | 67.1 | 0 | 0 | 0 | 0 | 114.9 | D1134 | D1134-S1136 VanDerWaalsContact C-N 3.29Å; D1134-S1136 WeakPolarHBondContact OD1-CB 3.45Å; D1134-S1136 PolarHBondContact OD1-N 2.99Å; D1134-S1136 PolarHBondContact OD1-OG 3.43Å; D1134-S1136 PolarHBondContact OD2-OG 3.36Å |
| 1137 | R | 72.4 | Confident | 72 | Confident | 112 Ų | 112 | 52.3 Ų | 52.3 | 42% | 0.423 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 39.9 | -178.8 | -65.7 | -171.3 | 175.3 | -172.7 | -2.8 | 113.1 | H1114 Y1129 P1135 Q1139 A1140 V1141 | H1114-R1137 PolarHBondContact ND1-NH1 3.22Å; H1114-R1137 VanDerWaalsContact ND1-NH1 3.19Å; Y1129-R1137 HydrophobicContact CE1-CB 4.25Å; P1135-R1137 PolarHBondContact O-N 2.95Å; R1137-Q1139 PolarHBondContact O-N 2.81Å; R1137-Q1139 VanDerWaalsContact O-N 3.12Å; R1137-A1140 HydrophobicContact CB-CB 4.34Å; R1137-A1140 PolarHBondContact O-N 2.86Å; R1137-A1140 VanDerWaalsContact O-N 3.12Å; R1137-V1141 WeakPolarHBondContact O-CG2 3.42Å; R1137-V1141 PolarHBondContact O-N 3.33Å; R1137-V1141 VanDerWaalsContact O-N 3.12Å |
| 1138 | F | 71.4 | Confident | 71.8 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -53.8 | -32.7 | 178.5 | 63 | -102 | 0 | 0 | 0 | 113.3 | P1135 S1142 Y1157 E1167 F1169 I1170 | P1135-F1138 VanDerWaalsContact O-CD1 3.27Å; P1135-F1138 WeakPolarHBondContact O-CD1 3.04Å; P1135-F1138 PolarHBondContact O-N 3.35Å; P1135-F1138 VanDerWaalsContact O-N 3.13Å; F1138-S1142 WeakPolarHBondContact O-CB 3.08Å; F1138-S1142 PolarHBondContact O-N 3.4Å; F1138-S1142 PolarHBondContact O-OG 3.09Å; F1138-Y1157 VanDerWaalsContact CA-OH 3.32Å; F1138-Y1157 WeakPolarHBondContact CA-OH 3.44Å; F1138-Y1157 HydrophobicContact CB-CE1 3.99Å; F1138-E1167 WeakPolarHBondContact CE1-OE2 3.43Å; F1138-E1167 WeakPolarHBondContact CZ-OE2 3.4Å; F1138-F1169 AromaticContact CD2-CD1 3.26Å; F1138-F1169 HydrophobicContact CD2-CD1 3.26Å; F1138-F1169 AromaticContact CD2-CE1 3.6Å; F1138-F1169 HydrophobicContact CD2-CE1 3.6Å; F1138-F1169 HydrophobicContact CD2-CG 4.16Å; F1138-F1169 HydrophobicContact CE2-CB 3.86Å; F1138-F1169 AromaticContact CE2-CD1 3.24Å; F1138-F1169 HydrophobicContact CE2-CD1 3.24Å; F1138-F1169 AromaticContact CE2-CE1 3.88Å; F1138-F1169 HydrophobicContact CE2-CE1 3.88Å; F1138-F1169 AromaticContact CE2-CG 3.67Å; F1138-F1169 HydrophobicContact CE2-CG 3.67Å; F1138-I1170 HydrophobicContact CD2-CG1 4.46Å; F1138-I1170 HydrophobicContact CG-CG1 4.46Å |
| 1139 | Q | 76.4 | Confident | 71.6 | Confident | 110 Ų | 110 | 52.6 Ų | 52.6 | 51% | 0.514 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.8 | -50.1 | 176.3 | -66.1 | -177.7 | -27.1 | 0 | 0 | 112.3 | R1137 V1141 S1142 E1143 F1169 | R1137-Q1139 PolarHBondContact O-N 2.81Å; R1137-Q1139 VanDerWaalsContact O-N 3.12Å; Q1139-V1141 VanDerWaalsContact C-N 3.32Å; Q1139-V1141 PolarHBondContact O-N 3.41Å; Q1139-S1142 WeakPolarHBondContact CA-OG 3.25Å; Q1139-S1142 PolarHBondContact O-N 3.21Å; Q1139-S1142 PolarHBondContact O-OG 3.17Å; Q1139-E1143 WeakPolarHBondContact O-CB 3.39Å; Q1139-E1143 WeakPolarHBondContact O-CG 3.2Å; Q1139-E1143 PolarHBondContact O-N 3.2Å; Q1139-F1169 HydrophobicContact CB-CZ 4.4Å; Q1139-F1169 HydrophobicContact CG-CD1 4.42Å; Q1139-F1169 HydrophobicContact CG-CE1 4.01Å; Q1139-F1169 HydrophobicContact CG-CE2 4.35Å; Q1139-F1169 HydrophobicContact CG-CZ 3.98Å |
| 1140 | A | 72.4 | Confident | 71.4 | Confident | 26 Ų | 26 | 55 Ų | 55 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65 | -38.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1117 R1137 E1143 A1144 | L1117-A1140 HydrophobicContact CD2-CB 4.1Å; R1137-A1140 HydrophobicContact CB-CB 4.34Å; R1137-A1140 PolarHBondContact O-N 2.86Å; R1137-A1140 VanDerWaalsContact O-N 3.12Å; A1140-E1143 PolarHBondContact O-N 3.09Å; A1140-A1144 VanDerWaalsContact O-CB 3.32Å; A1140-A1144 WeakPolarHBondContact O-CB 3.48Å; A1140-A1144 PolarHBondContact O-N 3.08Å |
| 1141 | V | 74.8 | Confident | 71.4 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.9 | -43 | 175.7 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | L1117 I1126 Y1129 R1137 Q1139 A1145 Y1157 | L1117-V1141 HydrophobicContact CD1-CB 4.39Å; L1117-V1141 HydrophobicContact CD1-CG2 3.93Å; I1126-V1141 HydrophobicContact CG1-CG1 3.9Å; Y1129-V1141 HydrophobicContact CD1-CG2 4.36Å; Y1129-V1141 HydrophobicContact CD2-CG2 3.41Å; Y1129-V1141 VanDerWaalsContact CD2-CG2 3.41Å; Y1129-V1141 HydrophobicContact CE1-CG2 4.45Å; Y1129-V1141 HydrophobicContact CE2-CG2 3.56Å; Y1129-V1141 HydrophobicContact CG-CG2 3.87Å; R1137-V1141 WeakPolarHBondContact O-CG2 3.42Å; R1137-V1141 PolarHBondContact O-N 3.33Å; R1137-V1141 VanDerWaalsContact O-N 3.12Å; Q1139-V1141 VanDerWaalsContact C-N 3.32Å; Q1139-V1141 PolarHBondContact O-N 3.41Å; V1141-A1145 WeakPolarHBondContact O-CB 3.21Å; V1141-A1145 PolarHBondContact O-N 3.19Å; V1141-Y1157 HydrophobicContact CB-CD1 4.27Å; V1141-Y1157 HydrophobicContact CB-CE1 3.8Å; V1141-Y1157 HydrophobicContact CB-CE2 4.47Å; V1141-Y1157 HydrophobicContact CG1-CD1 3.68Å; V1141-Y1157 HydrophobicContact CG1-CD2 4.07Å; V1141-Y1157 HydrophobicContact CG1-CE1 3.71Å; V1141-Y1157 HydrophobicContact CG1-CE2 4.1Å; V1141-Y1157 HydrophobicContact CG1-CG 3.87Å; V1141-Y1157 HydrophobicContact CG2-CE1 4.41Å; V1141-Y1157 HydrophobicContact CG2-CE2 4.37Å |
| 1142 | S | 72.2 | Confident | 71.7 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 175 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | F1138 Q1139 S1146 F1169 | F1138-S1142 WeakPolarHBondContact O-CB 3.08Å; F1138-S1142 PolarHBondContact O-N 3.4Å; F1138-S1142 PolarHBondContact O-OG 3.09Å; Q1139-S1142 WeakPolarHBondContact CA-OG 3.25Å; Q1139-S1142 PolarHBondContact O-N 3.21Å; Q1139-S1142 PolarHBondContact O-OG 3.17Å; S1142-S1146 WeakPolarHBondContact O-CB 3.21Å; S1142-S1146 PolarHBondContact O-N 3.26Å; S1142-F1169 VanDerWaalsContact OG-CE1 3.26Å; S1142-F1169 WeakPolarHBondContact OG-CE1 3.46Å; S1142-F1169 WeakPolarHBondContact OG-CZ 3.39Å |
| 1143 | E | 74.3 | Confident | 71.8 | Confident | 124 Ų | 124 | 53.5 Ų | 53.5 | 58% | 0.579 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -67 | -46.5 | 178.1 | -76.8 | 178.5 | 179.9 | 0 | 0 | 111.6 | Q1139 A1140 S1146 N1147 | Q1139-E1143 WeakPolarHBondContact O-CB 3.39Å; Q1139-E1143 WeakPolarHBondContact O-CG 3.2Å; Q1139-E1143 PolarHBondContact O-N 3.2Å; A1140-E1143 PolarHBondContact O-N 3.09Å; E1143-S1146 WeakPolarHBondContact O-CB 3.45Å; E1143-S1146 PolarHBondContact O-N 3.05Å; E1143-N1147 WeakPolarHBondContact O-CB 3.29Å; E1143-N1147 PolarHBondContact O-N 3.2Å; E1143-N1147 PolarHBondContact O-ND2 3.49Å; E1143-N1147 PolarHBondContact O-OD1 3.23Å |
| 1144 | A | 71.5 | Confident | 72.4 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.8 | -46.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1117 I1122 A1140 S1146 N1147 S1148 | L1117-A1144 HydrophobicContact CD1-CB 3.65Å; L1117-A1144 HydrophobicContact CD2-CB 3.76Å; L1117-A1144 HydrophobicContact CG-CB 3.43Å; L1117-A1144 VanDerWaalsContact CG-CB 3.43Å; I1122-A1144 HydrophobicContact CD1-CB 4.19Å; I1122-A1144 WeakPolarHBondContact CD1-O 3.42Å; I1122-A1144 HydrophobicContact CG1-CB 4Å; A1140-A1144 VanDerWaalsContact O-CB 3.32Å; A1140-A1144 WeakPolarHBondContact O-CB 3.48Å; A1140-A1144 PolarHBondContact O-N 3.08Å; A1144-S1146 VanDerWaalsContact C-N 3.26Å; A1144-S1146 PolarHBondContact O-N 2.88Å; A1144-N1147 PolarHBondContact O-N 2.84Å; A1144-S1148 PolarHBondContact O-N 3.36Å; A1144-S1148 PolarHBondContact O-OG 2.74Å |
| 1145 | A | 72.8 | Confident | 73 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -33.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1122 I1126 V1141 N1147 S1148 G1149 N1150 L1154 | I1122-A1145 HydrophobicContact CG2-CB 4.17Å; I1126-A1145 HydrophobicContact CD1-CB 4.1Å; V1141-A1145 WeakPolarHBondContact O-CB 3.21Å; V1141-A1145 PolarHBondContact O-N 3.19Å; A1145-N1147 VanDerWaalsContact C-N 3.3Å; A1145-S1148 PolarHBondContact O-OG 2.79Å; A1145-G1149 PolarHBondContact O-N 2.77Å; A1145-G1149 VanDerWaalsContact O-N 3.12Å; A1145-N1150 PolarHBondContact O-N 2.78Å; A1145-L1154 HydrophobicContact CB-CB 3.83Å; A1145-L1154 HydrophobicContact CB-CD1 3.94Å; A1145-L1154 HydrophobicContact CB-CD2 4.05Å; A1145-L1154 HydrophobicContact CB-CG 4.13Å |
| 1146 | S | 71 | Confident | 73.5 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 10% | 0.098 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.5 | -41 | 170.9 | 165.5 | 0 | 0 | 0 | 0 | 111.8 | S1142 E1143 A1144 W1151 R1205 | S1142-S1146 WeakPolarHBondContact O-CB 3.21Å; S1142-S1146 PolarHBondContact O-N 3.26Å; E1143-S1146 WeakPolarHBondContact O-CB 3.45Å; E1143-S1146 PolarHBondContact O-N 3.05Å; A1144-S1146 VanDerWaalsContact C-N 3.26Å; A1144-S1146 PolarHBondContact O-N 2.88Å; S1146-W1151 VanDerWaalsContact CA-CH2 3.43Å; S1146-W1151 WeakPolarHBondContact OG-CH2 3.33Å; S1146-R1205 PolarHBondContact OG-NH2 3.32Å |
| 1147 | N | 70.5 | Confident | 74 | Confident | 134 Ų | 134 | 51.3 Ų | 51.3 | 72% | 0.717 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -75.2 | -36.2 | -177.1 | -67.4 | -16.4 | 0 | 0 | 0 | 113.1 | E1143 A1144 A1145 | E1143-N1147 WeakPolarHBondContact O-CB 3.29Å; E1143-N1147 PolarHBondContact O-N 3.2Å; E1143-N1147 PolarHBondContact O-ND2 3.49Å; E1143-N1147 PolarHBondContact O-OD1 3.23Å; A1144-N1147 PolarHBondContact O-N 2.84Å; A1145-N1147 VanDerWaalsContact C-N 3.3Å |
| 1148 | S | 71.2 | Confident | 74.4 | Confident | 50 Ų | 50 | 46 Ų | 46 | 35% | 0.35 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -81.5 | -14.1 | 174.8 | 57.5 | 0 | 0 | 0 | 0 | 114.9 | I1122 A1144 A1145 N1150 | I1122-S1148 VanDerWaalsContact CD1-OG 3.3Å; I1122-S1148 WeakPolarHBondContact CD1-OG 3.35Å; I1122-S1148 WeakPolarHBondContact CG2-OG 3.42Å; A1144-S1148 PolarHBondContact O-N 3.36Å; A1144-S1148 PolarHBondContact O-OG 2.74Å; A1145-S1148 PolarHBondContact O-OG 2.79Å; S1148-N1150 VanDerWaalsContact C-N 3.34Å |
| 1149 | G | 70.7 | Confident | 74.7 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 36% | 0.361 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 12.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1145 W1151 | A1145-G1149 PolarHBondContact O-N 2.77Å; A1145-G1149 VanDerWaalsContact O-N 3.12Å; G1149-W1151 PolarHBondContact O-N 3.16Å |
| 1150 | N | 74.8 | Confident | 74.6 | Confident | 53 Ų | 53 | 45.8 Ų | 45.8 | 28% | 0.283 | 24% | 0.237 | S | C | . | . | trans | -81.5 | 58.5 | 178.9 | -69.3 | 7.3 | 0 | 0 | 0 | 111.7 | A1145 S1148 E1152 D1153 L1154 | A1145-N1150 PolarHBondContact O-N 2.78Å; S1148-N1150 VanDerWaalsContact C-N 3.34Å; N1150-E1152 VanDerWaalsContact C-N 3.32Å; N1150-E1152 PolarHBondContact O-N 2.79Å; N1150-D1153 HydrophobicContact CB-CB 4.49Å; N1150-D1153 PolarHBondContact O-N 2.88Å; N1150-L1154 PolarHBondContact O-N 2.81Å; N1150-L1154 VanDerWaalsContact O-N 3.1Å | ||
| 1151 | W | 77.2 | Confident | 74.8 | Confident | 15 Ų | 15 | 44.6 Ų | 44.6 | 6% | 0.057 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.8 | -31.1 | -175.4 | -63 | 98.4 | 0 | 0 | 0 | 113.2 | S1146 G1149 L1154 V1155 F1176 A1177 R1180 T1181 | S1146-W1151 VanDerWaalsContact CA-CH2 3.43Å; S1146-W1151 WeakPolarHBondContact OG-CH2 3.33Å; G1149-W1151 PolarHBondContact O-N 3.16Å; W1151-L1154 HydrophobicContact CE3-CD2 3.72Å; W1151-L1154 HydrophobicContact CZ3-CD2 3.64Å; W1151-L1154 PolarHBondContact O-N 2.88Å; W1151-V1155 VanDerWaalsContact O-CG2 3.29Å; W1151-V1155 WeakPolarHBondContact O-CG2 3.35Å; W1151-V1155 PolarHBondContact O-N 2.99Å; W1151-F1176 AromaticContact CH2-CD1 3.88Å; W1151-F1176 HydrophobicContact CH2-CD1 3.88Å; W1151-F1176 AromaticContact CH2-CE1 3.55Å; W1151-F1176 HydrophobicContact CH2-CE1 3.55Å; W1151-F1176 HydrophobicContact CZ2-CE1 4.21Å; W1151-F1176 AromaticContact CZ3-CD1 3.78Å; W1151-F1176 HydrophobicContact CZ3-CD1 3.78Å; W1151-F1176 AromaticContact CZ3-CE1 3.92Å; W1151-F1176 HydrophobicContact CZ3-CE1 3.92Å; W1151-A1177 HydrophobicContact CE3-CB 4.14Å; W1151-R1180 HydrophobicContact CD2-CB 4.25Å; W1151-R1180 HydrophobicContact CD2-CG 4.05Å; W1151-R1180 HydrophobicContact CG-CB 4.46Å; W1151-R1180 HydrophobicContact CG-CG 4.12Å; W1151-R1180 HydrophobicContact CZ2-CG 4.45Å; W1151-T1181 HydrophobicContact CB-CG2 3.66Å |
| 1152 | E | 75 | Confident | 74.8 | Confident | 146 Ų | 146 | 48.8 Ų | 48.8 | 68% | 0.682 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -65.2 | -44.6 | 177.7 | -64.1 | -166.6 | 153.6 | 0 | 0 | 112.3 | N1150 L1154 V1155 R1156 | N1150-E1152 VanDerWaalsContact C-N 3.32Å; N1150-E1152 PolarHBondContact O-N 2.79Å; E1152-L1154 VanDerWaalsContact C-N 3.32Å; E1152-V1155 PolarHBondContact O-N 2.79Å; E1152-R1156 PolarHBondContact O-N 3.19Å |
| 1153 | D | 72.5 | Confident | 74.8 | Confident | 47 Ų | 47 | 57.7 Ų | 57.7 | 25% | 0.251 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.4 | -36 | 175.9 | -66.6 | -43 | 0 | 0 | 0 | 111 | I1126 N1150 R1156 Y1157 | I1126-D1153 HydrophobicContact CD1-CB 3.9Å; N1150-D1153 HydrophobicContact CB-CB 4.49Å; N1150-D1153 PolarHBondContact O-N 2.88Å; D1153-R1156 WeakPolarHBondContact O-CB 3.45Å; D1153-R1156 PolarHBondContact O-N 3.13Å; D1153-Y1157 PolarHBondContact O-N 3.3Å |
| 1154 | L | 78.7 | Confident | 74.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 174.1 | -175.3 | 59.4 | 0 | 0 | 0 | 112 | A1145 N1150 W1151 E1152 R1156 Y1157 L1158 | A1145-L1154 HydrophobicContact CB-CB 3.83Å; A1145-L1154 HydrophobicContact CB-CD1 3.94Å; A1145-L1154 HydrophobicContact CB-CD2 4.05Å; A1145-L1154 HydrophobicContact CB-CG 4.13Å; N1150-L1154 PolarHBondContact O-N 2.81Å; N1150-L1154 VanDerWaalsContact O-N 3.1Å; W1151-L1154 HydrophobicContact CE3-CD2 3.72Å; W1151-L1154 HydrophobicContact CZ3-CD2 3.64Å; W1151-L1154 PolarHBondContact O-N 2.88Å; E1152-L1154 VanDerWaalsContact C-N 3.32Å; L1154-R1156 PolarHBondContact O-N 2.88Å; L1154-Y1157 HydrophobicContact CD1-CD1 4.23Å; L1154-Y1157 PolarHBondContact O-N 2.77Å; L1154-Y1157 VanDerWaalsContact O-N 3.14Å; L1154-L1158 HydrophobicContact CD1-CD1 4.05Å; L1154-L1158 HydrophobicContact CD1-CD2 4.35Å; L1154-L1158 HydrophobicContact CD1-CG 3.87Å; L1154-L1158 HydrophobicContact CD2-CD1 4.18Å; L1154-L1158 HydrophobicContact CG-CD1 3.7Å; L1154-L1158 HydrophobicContact CG-CG 4.01Å; L1154-L1158 WeakPolarHBondContact O-CB 2.94Å; L1154-L1158 VanDerWaalsContact O-CG 3.3Å; L1154-L1158 WeakPolarHBondContact O-CG 3.48Å; L1154-L1158 PolarHBondContact O-N 3.42Å |
| 1155 | V | 78.1 | Confident | 73.9 | Confident | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.048 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.4 | -39.8 | 174.4 | 170 | 0 | 0 | 0 | 0 | 110 | W1151 E1152 Q1159 L1174 A1177 | W1151-V1155 VanDerWaalsContact O-CG2 3.29Å; W1151-V1155 WeakPolarHBondContact O-CG2 3.35Å; W1151-V1155 PolarHBondContact O-N 2.99Å; E1152-V1155 PolarHBondContact O-N 2.79Å; V1155-Q1159 HydrophobicContact CG1-CG 4.32Å; V1155-Q1159 VanDerWaalsContact O-CB 3.31Å; V1155-Q1159 WeakPolarHBondContact O-CB 3.48Å; V1155-Q1159 WeakPolarHBondContact O-CG 3.42Å; V1155-Q1159 PolarHBondContact O-N 2.58Å; V1155-L1174 HydrophobicContact CG1-CD1 4.4Å; V1155-A1177 HydrophobicContact CG2-CB 3.69Å |
| 1156 | R | 76.9 | Confident | 73.5 | Confident | 167 Ų | 167 | 69.5 Ų | 69.5 | 63% | 0.63 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.2 | -44.3 | 175.6 | -170 | -178.8 | -179.2 | -173.9 | -0.8 | 112.3 | E1152 D1153 L1154 M1160 | E1152-R1156 PolarHBondContact O-N 3.19Å; D1153-R1156 WeakPolarHBondContact O-CB 3.45Å; D1153-R1156 PolarHBondContact O-N 3.13Å; L1154-R1156 PolarHBondContact O-N 2.88Å; R1156-M1160 PolarHBondContact O-N 2.92Å; R1156-M1160 VanDerWaalsContact O-N 3.15Å |
| 1157 | Y | 78.5 | Confident | 73.5 | Confident | 1 Ų | 1 | 73 Ų | 73 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 175.5 | 178 | -97.5 | 0 | 0 | 0 | 111.9 | V1130 F1138 V1141 D1153 L1154 M1160 A1161 | V1130-Y1157 HydrophobicContact CG2-CD2 4.33Å; F1138-Y1157 VanDerWaalsContact CA-OH 3.32Å; F1138-Y1157 WeakPolarHBondContact CA-OH 3.44Å; F1138-Y1157 HydrophobicContact CB-CE1 3.99Å; V1141-Y1157 HydrophobicContact CB-CD1 4.27Å; V1141-Y1157 HydrophobicContact CB-CE1 3.8Å; V1141-Y1157 HydrophobicContact CB-CE2 4.47Å; V1141-Y1157 HydrophobicContact CG1-CD1 3.68Å; V1141-Y1157 HydrophobicContact CG1-CD2 4.07Å; V1141-Y1157 HydrophobicContact CG1-CE1 3.71Å; V1141-Y1157 HydrophobicContact CG1-CE2 4.1Å; V1141-Y1157 HydrophobicContact CG1-CG 3.87Å; V1141-Y1157 HydrophobicContact CG2-CE1 4.41Å; V1141-Y1157 HydrophobicContact CG2-CE2 4.37Å; D1153-Y1157 PolarHBondContact O-N 3.3Å; L1154-Y1157 HydrophobicContact CD1-CD1 4.23Å; L1154-Y1157 PolarHBondContact O-N 2.77Å; L1154-Y1157 VanDerWaalsContact O-N 3.14Å; Y1157-M1160 HydrophobicContact CD2-CE 3.71Å; Y1157-M1160 HydrophobicContact CE2-CE 3.71Å; Y1157-M1160 WeakPolarHBondContact O-CB 3.46Å; Y1157-M1160 PolarHBondContact O-N 3Å; Y1157-A1161 WeakPolarHBondContact O-CB 3.2Å; Y1157-A1161 PolarHBondContact O-N 3.4Å |
| 1158 | L | 80.8 | Confident | 74 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.2 | -35.6 | -179.1 | -67.8 | 174.4 | 0 | 0 | 0 | 112.4 | L1154 M1160 A1161 R1162 I1170 E1173 L1174 | L1154-L1158 HydrophobicContact CD1-CD1 4.05Å; L1154-L1158 HydrophobicContact CD1-CD2 4.35Å; L1154-L1158 HydrophobicContact CD1-CG 3.87Å; L1154-L1158 HydrophobicContact CD2-CD1 4.18Å; L1154-L1158 HydrophobicContact CG-CD1 3.7Å; L1154-L1158 HydrophobicContact CG-CG 4.01Å; L1154-L1158 WeakPolarHBondContact O-CB 2.94Å; L1154-L1158 VanDerWaalsContact O-CG 3.3Å; L1154-L1158 WeakPolarHBondContact O-CG 3.48Å; L1154-L1158 PolarHBondContact O-N 3.42Å; L1158-M1160 VanDerWaalsContact C-N 3.33Å; L1158-A1161 PolarHBondContact O-N 3.35Å; L1158-R1162 VanDerWaalsContact O-CB 3.29Å; L1158-R1162 WeakPolarHBondContact O-CB 3.42Å; L1158-R1162 PolarHBondContact O-N 2.8Å; L1158-I1170 HydrophobicContact CD2-CG2 4.21Å; L1158-E1173 HydrophobicContact CD1-CB 3.71Å; L1158-E1173 HydrophobicContact CD2-CB 4.14Å; L1158-L1174 HydrophobicContact CB-CD1 4.34Å; L1158-L1174 HydrophobicContact CD1-CB 4.49Å |
| 1159 | Q | 77.8 | Confident | 74.2 | Confident | 84 Ų | 84 | 70.8 Ų | 70.8 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 171.2 | -76.4 | 177.9 | -1.6 | 0 | 0 | 112.2 | V1155 K1163 L1174 | V1155-Q1159 HydrophobicContact CG1-CG 4.32Å; V1155-Q1159 VanDerWaalsContact O-CB 3.31Å; V1155-Q1159 WeakPolarHBondContact O-CB 3.48Å; V1155-Q1159 WeakPolarHBondContact O-CG 3.42Å; V1155-Q1159 PolarHBondContact O-N 2.58Å; Q1159-K1163 WeakPolarHBondContact O-CG 3.48Å; Q1159-K1163 PolarHBondContact O-N 2.93Å; Q1159-L1174 HydrophobicContact CG-CD1 4.46Å |
| 1160 | M | 75.8 | Confident | 74.6 | Confident | 47 Ų | 47 | 69.1 Ų | 69.1 | 23% | 0.232 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.5 | -46 | 172 | 177.5 | -80.3 | -64.6 | 0 | 0 | 110.9 | R1156 Y1157 L1158 K1163 | R1156-M1160 PolarHBondContact O-N 2.92Å; R1156-M1160 VanDerWaalsContact O-N 3.15Å; Y1157-M1160 HydrophobicContact CD2-CE 3.71Å; Y1157-M1160 HydrophobicContact CE2-CE 3.71Å; Y1157-M1160 WeakPolarHBondContact O-CB 3.46Å; Y1157-M1160 PolarHBondContact O-N 3Å; L1158-M1160 VanDerWaalsContact C-N 3.33Å; M1160-K1163 PolarHBondContact O-N 2.87Å |
| 1161 | A | 74.8 | Confident | 75 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1157 L1158 K1163 K1164 A1165 I1170 | Y1157-A1161 WeakPolarHBondContact O-CB 3.2Å; Y1157-A1161 PolarHBondContact O-N 3.4Å; L1158-A1161 PolarHBondContact O-N 3.35Å; A1161-K1163 PolarHBondContact O-N 3.03Å; A1161-K1164 PolarHBondContact O-N 2.83Å; A1161-A1165 PolarHBondContact O-N 2.88Å; A1161-I1170 HydrophobicContact CB-CD1 3.83Å; A1161-I1170 HydrophobicContact CB-CG1 4.29Å; A1161-I1170 HydrophobicContact CB-CG2 4.08Å |
| 1162 | R | 75.4 | Confident | 75.4 | Confident | 89 Ų | 89 | 66.8 Ų | 66.8 | 34% | 0.336 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.2 | -31.6 | 178.7 | -172.4 | -179.4 | -177.1 | -155.2 | 0.6 | 113.1 | L1158 I1170 E1171 | L1158-R1162 VanDerWaalsContact O-CB 3.29Å; L1158-R1162 WeakPolarHBondContact O-CB 3.42Å; L1158-R1162 PolarHBondContact O-N 2.8Å; R1162-I1170 HydrophobicContact CB-CG2 3.94Å; R1162-E1171 HydrophobicContact CG-CG 4.49Å; R1162-E1171 IonicContact CZ-OE1 3.35Å; R1162-E1171 IonicContact NE-OE1 3.97Å; R1162-E1171 PolarHBondContact NE-OE1 3.12Å; R1162-E1171 IonicContact NH2-OE1 3.99Å; R1162-E1171 PolarHBondContact NH2-OE1 3.2Å; R1162-E1171 VanDerWaalsContact NH2-OE1 3.08Å |
| 1163 | K | 72.9 | Confident | 75.7 | Confident | 189 Ų | 189 | 60.9 Ų | 60.9 | 82% | 0.822 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -70.2 | -29.3 | 176.9 | -73.8 | 177.6 | -177.3 | 178.7 | 0 | 113 | Q1159 M1160 A1161 | Q1159-K1163 WeakPolarHBondContact O-CG 3.48Å; Q1159-K1163 PolarHBondContact O-N 2.93Å; M1160-K1163 PolarHBondContact O-N 2.87Å; A1161-K1163 PolarHBondContact O-N 3.03Å |
| 1164 | K | 65.5 | Low | 76.1 | Confident | 138 Ų | 138 | 58.7 Ų | 58.7 | 60% | 0.6 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -102 | -33.4 | -177.3 | -76.8 | -170.4 | 176.6 | -178.6 | 0 | 113.5 | S1133 A1161 | S1133-K1164 PolarHBondContact O-NZ 2.88Å; A1161-K1164 PolarHBondContact O-N 2.83Å |
| 1165 | A | 61.7 | Low | 76.3 | Confident | 21 Ų | 21 | 58.8 Ų | 58.8 | 17% | 0.174 | 26% | 0.259 | C | S | . | . | trans | -129.3 | 116.1 | -177 | 0 | 0 | 0 | 0 | 0 | 109.2 | A1161 E1167 I1170 | A1161-A1165 PolarHBondContact O-N 2.88Å; A1165-E1167 HydrophobicContact CB-CG 4.32Å; A1165-E1167 PolarHBondContact O-N 3.07Å; A1165-I1170 HydrophobicContact CB-CD1 3.78Å; A1165-I1170 WeakPolarHBondContact O-CD1 3.42Å | ||
| 1166 | R | 62.9 | Low | 76.5 | Confident | 222 Ų | 222 | 58.4 Ų | 58.4 | 84% | 0.838 | 26% | 0.257 | S | S | * | . | trans | -87.4 | 65.6 | 172.9 | -71.4 | -174.1 | -178.3 | -175.8 | 0.2 | 109.5 | ||||
| 1167 | E | 72.6 | Confident | 76.7 | Confident | 87 Ų | 87 | 50.5 Ų | 50.5 | 41% | 0.407 | 23% | 0.227 | S | C | . | . | trans | -101 | 139.5 | 178.2 | -67.6 | -168.7 | -167.2 | 0 | 0 | 111.9 | F1138 A1165 F1169 I1170 E1171 | F1138-E1167 WeakPolarHBondContact CE1-OE2 3.43Å; F1138-E1167 WeakPolarHBondContact CZ-OE2 3.4Å; A1165-E1167 HydrophobicContact CB-CG 4.32Å; A1165-E1167 PolarHBondContact O-N 3.07Å; E1167-F1169 PolarHBondContact O-N 3.43Å; E1167-I1170 HydrophobicContact CB-CD1 4.09Å; E1167-I1170 HydrophobicContact CB-CG1 4.34Å; E1167-I1170 PolarHBondContact O-N 3.08Å; E1167-I1170 VanDerWaalsContact O-N 3.11Å; E1167-E1171 PolarHBondContact O-N 2.8Å | ||
| 1168 | T | 80.7 | Confident | 76.9 | Confident | 74 Ų | 74 | 51.8 Ų | 51.8 | 45% | 0.454 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -54.4 | -36 | 178.2 | -62.6 | 0 | 0 | 0 | 0 | 112.7 | E1171 S1172 H1196 N1198 | T1168-E1171 PolarHBondContact O-N 2.75Å; T1168-S1172 VanDerWaalsContact O-CB 3.3Å; T1168-S1172 WeakPolarHBondContact O-CB 3.25Å; T1168-S1172 PolarHBondContact O-N 3.25Å; T1168-S1172 PolarHBondContact O-OG 3.28Å; T1168-H1196 VanDerWaalsContact CG2-O 3.25Å; T1168-H1196 WeakPolarHBondContact CG2-O 3.5Å; T1168-H1196 PolarHBondContact OG1-O 2.74Å; T1168-N1198 HydrophobicContact CG2-CB 4.27Å |
| 1169 | F | 75.8 | Confident | 76.9 | Confident | 63 Ų | 63 | 52 Ų | 52 | 28% | 0.276 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.7 | -43.8 | 178.9 | -175.6 | -88.8 | 0 | 0 | 0 | 111.8 | F1138 Q1139 S1142 E1167 E1171 S1172 E1173 | F1138-F1169 AromaticContact CD2-CD1 3.26Å; F1138-F1169 HydrophobicContact CD2-CD1 3.26Å; F1138-F1169 AromaticContact CD2-CE1 3.6Å; F1138-F1169 HydrophobicContact CD2-CE1 3.6Å; F1138-F1169 HydrophobicContact CD2-CG 4.16Å; F1138-F1169 HydrophobicContact CE2-CB 3.86Å; F1138-F1169 AromaticContact CE2-CD1 3.24Å; F1138-F1169 HydrophobicContact CE2-CD1 3.24Å; F1138-F1169 AromaticContact CE2-CE1 3.88Å; F1138-F1169 HydrophobicContact CE2-CE1 3.88Å; F1138-F1169 AromaticContact CE2-CG 3.67Å; F1138-F1169 HydrophobicContact CE2-CG 3.67Å; Q1139-F1169 HydrophobicContact CB-CZ 4.4Å; Q1139-F1169 HydrophobicContact CG-CD1 4.42Å; Q1139-F1169 HydrophobicContact CG-CE1 4.01Å; Q1139-F1169 HydrophobicContact CG-CE2 4.35Å; Q1139-F1169 HydrophobicContact CG-CZ 3.98Å; S1142-F1169 VanDerWaalsContact OG-CE1 3.26Å; S1142-F1169 WeakPolarHBondContact OG-CE1 3.46Å; S1142-F1169 WeakPolarHBondContact OG-CZ 3.39Å; E1167-F1169 PolarHBondContact O-N 3.43Å; F1169-E1171 PolarHBondContact O-N 2.95Å; F1169-S1172 PolarHBondContact O-N 2.84Å; F1169-E1173 HydrophobicContact CD1-CG 3.9Å; F1169-E1173 HydrophobicContact CE1-CG 3.48Å; F1169-E1173 VanDerWaalsContact CE1-CG 3.48Å; F1169-E1173 HydrophobicContact CE2-CG 4.31Å; F1169-E1173 HydrophobicContact CZ-CG 3.71Å; F1169-E1173 WeakPolarHBondContact O-CB 3.42Å; F1169-E1173 WeakPolarHBondContact O-CG 3.07Å; F1169-E1173 PolarHBondContact O-N 3.24Å |
| 1170 | I | 78.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -44.6 | -179.7 | -62.1 | 167.3 | 0 | 0 | 0 | 110.6 | F1138 L1158 A1161 R1162 A1165 E1167 S1172 L1174 | F1138-I1170 HydrophobicContact CD2-CG1 4.46Å; F1138-I1170 HydrophobicContact CG-CG1 4.46Å; L1158-I1170 HydrophobicContact CD2-CG2 4.21Å; A1161-I1170 HydrophobicContact CB-CD1 3.83Å; A1161-I1170 HydrophobicContact CB-CG1 4.29Å; A1161-I1170 HydrophobicContact CB-CG2 4.08Å; R1162-I1170 HydrophobicContact CB-CG2 3.94Å; A1165-I1170 HydrophobicContact CB-CD1 3.78Å; A1165-I1170 WeakPolarHBondContact O-CD1 3.42Å; E1167-I1170 HydrophobicContact CB-CD1 4.09Å; E1167-I1170 HydrophobicContact CB-CG1 4.34Å; E1167-I1170 PolarHBondContact O-N 3.08Å; E1167-I1170 VanDerWaalsContact O-N 3.11Å; I1170-S1172 VanDerWaalsContact C-N 3.34Å; I1170-L1174 VanDerWaalsContact O-CB 3.24Å; I1170-L1174 WeakPolarHBondContact O-CB 3.45Å; I1170-L1174 PolarHBondContact O-N 2.85Å |
| 1171 | E | 83.2 | Confident | 77 | Confident | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.8 | -32.3 | 178.9 | -65.3 | -157.1 | 146.2 | 0 | 0 | 112.3 | R1162 E1167 T1168 F1169 A1175 F1190 H1196 A1197 | R1162-E1171 HydrophobicContact CG-CG 4.49Å; R1162-E1171 IonicContact CZ-OE1 3.35Å; R1162-E1171 IonicContact NE-OE1 3.97Å; R1162-E1171 PolarHBondContact NE-OE1 3.12Å; R1162-E1171 IonicContact NH2-OE1 3.99Å; R1162-E1171 PolarHBondContact NH2-OE1 3.2Å; R1162-E1171 VanDerWaalsContact NH2-OE1 3.08Å; E1167-E1171 PolarHBondContact O-N 2.8Å; T1168-E1171 PolarHBondContact O-N 2.75Å; F1169-E1171 PolarHBondContact O-N 2.95Å; E1171-A1175 PolarHBondContact O-N 2.8Å; E1171-F1190 HydrophobicContact CB-CZ 4.19Å; E1171-H1196 WeakPolarHBondContact OE2-CA 3.48Å; E1171-H1196 WeakPolarHBondContact OE2-CB 3.13Å; E1171-H1196 PolarHBondContact OE2-N 2.97Å; E1171-H1196 IonicContact OE2-ND1 3.72Å; E1171-A1197 HydrophobicContact CB-CB 4.04Å |
| 1172 | S | 84.2 | Confident | 77.2 | Confident | 10 Ų | 10 | 57.8 Ų | 57.8 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.6 | -45.6 | 175.4 | -54.4 | 0 | 0 | 0 | 0 | 112 | T1168 F1169 I1170 L1174 A1175 F1176 N1198 V1202 | T1168-S1172 VanDerWaalsContact O-CB 3.3Å; T1168-S1172 WeakPolarHBondContact O-CB 3.25Å; T1168-S1172 PolarHBondContact O-N 3.25Å; T1168-S1172 PolarHBondContact O-OG 3.28Å; F1169-S1172 PolarHBondContact O-N 2.84Å; I1170-S1172 VanDerWaalsContact C-N 3.34Å; S1172-L1174 VanDerWaalsContact C-N 3.29Å; S1172-L1174 PolarHBondContact O-N 3.34Å; S1172-A1175 PolarHBondContact O-N 2.79Å; S1172-F1176 PolarHBondContact O-N 3.47Å; S1172-N1198 PolarHBondContact OG-N 3.04Å; S1172-V1202 WeakPolarHBondContact O-CG2 3.16Å |
| 1173 | E | 82.5 | Confident | 77.3 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.9 | -33.8 | 174.2 | -73.7 | -56 | 121.2 | 0 | 0 | 112 | L1158 F1169 F1176 A1177 R1205 | L1158-E1173 HydrophobicContact CD1-CB 3.71Å; L1158-E1173 HydrophobicContact CD2-CB 4.14Å; F1169-E1173 HydrophobicContact CD1-CG 3.9Å; F1169-E1173 HydrophobicContact CE1-CG 3.48Å; F1169-E1173 VanDerWaalsContact CE1-CG 3.48Å; F1169-E1173 HydrophobicContact CE2-CG 4.31Å; F1169-E1173 HydrophobicContact CZ-CG 3.71Å; F1169-E1173 WeakPolarHBondContact O-CB 3.42Å; F1169-E1173 WeakPolarHBondContact O-CG 3.07Å; F1169-E1173 PolarHBondContact O-N 3.24Å; E1173-F1176 PolarHBondContact O-N 2.9Å; E1173-A1177 VanDerWaalsContact O-CB 3.28Å; E1173-A1177 WeakPolarHBondContact O-CB 3.11Å; E1173-A1177 PolarHBondContact O-N 3.31Å; E1173-R1205 IonicContact OE1-CZ 2.91Å; E1173-R1205 IonicContact OE1-NH1 3.07Å; E1173-R1205 PolarHBondContact OE1-NH1 2.61Å; E1173-R1205 IonicContact OE2-CZ 3.3Å; E1173-R1205 IonicContact OE2-NH1 3.03Å; E1173-R1205 PolarHBondContact OE2-NH1 3Å; E1173-R1205 IonicContact OE2-NH2 2.72Å |
| 1174 | L | 81 | Confident | 77.6 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.7 | -44.4 | 176 | -178.4 | 64.3 | 0 | 0 | 0 | 111.3 | V1155 L1158 Q1159 I1170 S1172 F1176 A1177 Y1178 | V1155-L1174 HydrophobicContact CG1-CD1 4.4Å; L1158-L1174 HydrophobicContact CB-CD1 4.34Å; L1158-L1174 HydrophobicContact CD1-CB 4.49Å; Q1159-L1174 HydrophobicContact CG-CD1 4.46Å; I1170-L1174 VanDerWaalsContact O-CB 3.24Å; I1170-L1174 WeakPolarHBondContact O-CB 3.45Å; I1170-L1174 PolarHBondContact O-N 2.85Å; S1172-L1174 VanDerWaalsContact C-N 3.29Å; S1172-L1174 PolarHBondContact O-N 3.34Å; L1174-F1176 VanDerWaalsContact C-N 3.28Å; L1174-F1176 PolarHBondContact O-N 2.78Å; L1174-A1177 PolarHBondContact O-N 2.78Å; L1174-Y1178 HydrophobicContact CD1-CD2 4.45Å; L1174-Y1178 HydrophobicContact CD1-CE2 3.92Å; L1174-Y1178 HydrophobicContact CD2-CE2 4.09Å; L1174-Y1178 HydrophobicContact CG-CD2 4.12Å; L1174-Y1178 HydrophobicContact CG-CE2 3.65Å; L1174-Y1178 VanDerWaalsContact O-CD2 3.28Å; L1174-Y1178 WeakPolarHBondContact O-CD2 3.26Å; L1174-Y1178 PolarHBondContact O-N 3.13Å |
| 1175 | A | 82.6 | Confident | 78.2 | Confident | 2 Ų | 2 | 49 Ų | 49 | 2% | 0.017 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1171 S1172 Y1178 A1179 L1187 F1190 V1202 | E1171-A1175 PolarHBondContact O-N 2.8Å; S1172-A1175 PolarHBondContact O-N 2.79Å; A1175-Y1178 PolarHBondContact O-N 2.84Å; A1175-A1179 PolarHBondContact O-N 3.36Å; A1175-A1179 VanDerWaalsContact O-N 3.11Å; A1175-L1187 HydrophobicContact CB-CD1 4.15Å; A1175-L1187 WeakPolarHBondContact O-CD1 3.41Å; A1175-F1190 HydrophobicContact CB-CD1 4.03Å; A1175-F1190 HydrophobicContact CB-CE1 3.62Å; A1175-F1190 HydrophobicContact CB-CZ 4.44Å; A1175-V1202 HydrophobicContact CB-CG1 3.99Å; A1175-V1202 HydrophobicContact CB-CG2 4.24Å |
| 1176 | F | 82.8 | Confident | 79 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.5 | -41.7 | 175.7 | -171.5 | -101.4 | 0 | 0 | 0 | 112.7 | W1151 S1172 E1173 L1174 Y1178 A1179 R1180 V1202 R1205 Q1209 L1211 | W1151-F1176 AromaticContact CH2-CD1 3.88Å; W1151-F1176 HydrophobicContact CH2-CD1 3.88Å; W1151-F1176 AromaticContact CH2-CE1 3.55Å; W1151-F1176 HydrophobicContact CH2-CE1 3.55Å; W1151-F1176 HydrophobicContact CZ2-CE1 4.21Å; W1151-F1176 AromaticContact CZ3-CD1 3.78Å; W1151-F1176 HydrophobicContact CZ3-CD1 3.78Å; W1151-F1176 AromaticContact CZ3-CE1 3.92Å; W1151-F1176 HydrophobicContact CZ3-CE1 3.92Å; S1172-F1176 PolarHBondContact O-N 3.47Å; E1173-F1176 PolarHBondContact O-N 2.9Å; L1174-F1176 VanDerWaalsContact C-N 3.28Å; L1174-F1176 PolarHBondContact O-N 2.78Å; F1176-Y1178 VanDerWaalsContact C-N 3.34Å; F1176-Y1178 PolarHBondContact O-N 3.07Å; F1176-A1179 WeakPolarHBondContact O-CB 3.48Å; F1176-A1179 PolarHBondContact O-N 3.44Å; F1176-R1180 PolarHBondContact O-N 3.45Å; F1176-V1202 HydrophobicContact CB-CG1 4.04Å; F1176-V1202 HydrophobicContact CD2-CG1 4.29Å; F1176-R1205 VanDerWaalsContact CD1-NH1 3.26Å; F1176-R1205 HydrophobicContact CD2-CB 4.03Å; F1176-R1205 HydrophobicContact CD2-CG 3.9Å; F1176-R1205 HydrophobicContact CE2-CB 3.89Å; F1176-R1205 HydrophobicContact CE2-CG 3.49Å; F1176-R1205 VanDerWaalsContact CE2-CG 3.49Å; F1176-R1205 HydrophobicContact CZ-CG 3.9Å; F1176-Q1209 VanDerWaalsContact CZ-CD 3.48Å; F1176-Q1209 HydrophobicContact CZ-CG 4.42Å; F1176-Q1209 VanDerWaalsContact CZ-OE1 3.29Å; F1176-L1211 HydrophobicContact CE2-CD1 4.41Å; F1176-L1211 HydrophobicContact CZ-CD1 4.39Å |
| 1177 | A | 80.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.8 | -35.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | W1151 V1155 E1173 L1174 R1180 T1181 | W1151-A1177 HydrophobicContact CE3-CB 4.14Å; V1155-A1177 HydrophobicContact CG2-CB 3.69Å; E1173-A1177 VanDerWaalsContact O-CB 3.28Å; E1173-A1177 WeakPolarHBondContact O-CB 3.11Å; E1173-A1177 PolarHBondContact O-N 3.31Å; L1174-A1177 PolarHBondContact O-N 2.78Å; A1177-R1180 PolarHBondContact O-N 2.88Å; A1177-T1181 WeakPolarHBondContact O-CB 3.37Å; A1177-T1181 WeakPolarHBondContact O-CG2 3.37Å; A1177-T1181 PolarHBondContact O-N 3.48Å; A1177-T1181 PolarHBondContact O-OG1 2.95Å |
| 1178 | Y | 82.2 | Confident | 80.1 | Confident | 28 Ų | 28 | 40.9 Ų | 40.9 | 11% | 0.11 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.9 | -42.8 | 170.6 | -74.4 | -48.6 | 0 | 0 | 0 | 112.2 | L1174 A1175 F1176 R1180 T1181 N1182 R1183 D1186 | L1174-Y1178 HydrophobicContact CD1-CD2 4.45Å; L1174-Y1178 HydrophobicContact CD1-CE2 3.92Å; L1174-Y1178 HydrophobicContact CD2-CE2 4.09Å; L1174-Y1178 HydrophobicContact CG-CD2 4.12Å; L1174-Y1178 HydrophobicContact CG-CE2 3.65Å; L1174-Y1178 VanDerWaalsContact O-CD2 3.28Å; L1174-Y1178 WeakPolarHBondContact O-CD2 3.26Å; L1174-Y1178 PolarHBondContact O-N 3.13Å; A1175-Y1178 PolarHBondContact O-N 2.84Å; F1176-Y1178 VanDerWaalsContact C-N 3.34Å; F1176-Y1178 PolarHBondContact O-N 3.07Å; Y1178-R1180 PolarHBondContact O-N 3.15Å; Y1178-T1181 PolarHBondContact O-OG1 3.48Å; Y1178-N1182 PolarHBondContact O-N 3.2Å; Y1178-R1183 HydrophobicContact CD1-CB 4.12Å; Y1178-R1183 PolarHBondContact O-N 3.5Å; Y1178-D1186 HydrophobicContact CD1-CB 3.96Å; Y1178-D1186 HydrophobicContact CE1-CB 3.97Å; Y1178-D1186 HydrophobicContact CG-CB 4.36Å |
| 1179 | A | 80.7 | Confident | 80 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.033 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1175 F1176 N1182 L1187 C1206 A1214 | A1175-A1179 PolarHBondContact O-N 3.36Å; A1175-A1179 VanDerWaalsContact O-N 3.11Å; F1176-A1179 WeakPolarHBondContact O-CB 3.48Å; F1176-A1179 PolarHBondContact O-N 3.44Å; A1179-N1182 PolarHBondContact O-N 2.92Å; A1179-L1187 HydrophobicContact CB-CD2 4.07Å; A1179-C1206 VanDerWaalsContact CB-SG 3.56Å; A1179-A1214 HydrophobicContact CB-CB 3.66Å |
| 1180 | R | 77.3 | Confident | 80.2 | Confident | 95 Ų | 95 | 42.1 Ų | 42.1 | 36% | 0.358 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -76.3 | -26.2 | -176.9 | -166.4 | 143.5 | 175.1 | -166.4 | -12.4 | 114.1 | W1151 F1176 A1177 Y1178 N1182 L1211 | W1151-R1180 HydrophobicContact CD2-CB 4.25Å; W1151-R1180 HydrophobicContact CD2-CG 4.05Å; W1151-R1180 HydrophobicContact CG-CB 4.46Å; W1151-R1180 HydrophobicContact CG-CG 4.12Å; W1151-R1180 HydrophobicContact CZ2-CG 4.45Å; F1176-R1180 PolarHBondContact O-N 3.45Å; A1177-R1180 PolarHBondContact O-N 2.88Å; Y1178-R1180 PolarHBondContact O-N 3.15Å; R1180-N1182 PolarHBondContact O-N 3.38Å; R1180-L1211 HydrophobicContact CB-CD1 4.29Å |
| 1181 | T | 79.1 | Confident | 80.3 | Confident | 37 Ų | 37 | 42.8 Ų | 42.8 | 23% | 0.227 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 7 | 171.9 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | W1151 A1177 Y1178 R1183 | W1151-T1181 HydrophobicContact CB-CG2 3.66Å; A1177-T1181 WeakPolarHBondContact O-CB 3.37Å; A1177-T1181 WeakPolarHBondContact O-CG2 3.37Å; A1177-T1181 PolarHBondContact O-N 3.48Å; A1177-T1181 PolarHBondContact O-OG1 2.95Å; Y1178-T1181 PolarHBondContact O-OG1 3.48Å; T1181-R1183 PolarHBondContact O-N 2.97Å |
| 1182 | N | 78.3 | Confident | 80.1 | Confident | 121 Ų | 121 | 47 Ų | 47 | 65% | 0.647 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 30.4 | -179.6 | -158.7 | 30.5 | 0 | 0 | 0 | 114.1 | Y1178 A1179 R1180 L1184 | Y1178-N1182 PolarHBondContact O-N 3.2Å; A1179-N1182 PolarHBondContact O-N 2.92Å; R1180-N1182 PolarHBondContact O-N 3.38Å; N1182-L1184 VanDerWaalsContact C-N 3.28Å; N1182-L1184 PolarHBondContact O-N 3.44Å |
| 1183 | R | 78.6 | Confident | 79.7 | Confident | 103 Ų | 103 | 47.7 Ų | 47.7 | 39% | 0.389 | 25% | 0.251 | S | S | . | . | trans | -90.8 | 64.5 | 174.4 | -61.8 | -170.1 | -173.3 | -175.5 | 2.9 | 109.9 | Y1178 T1181 S1185 D1186 L1187 | Y1178-R1183 HydrophobicContact CD1-CB 4.12Å; Y1178-R1183 PolarHBondContact O-N 3.5Å; T1181-R1183 PolarHBondContact O-N 2.97Å; R1183-S1185 VanDerWaalsContact C-N 3.32Å; R1183-S1185 PolarHBondContact O-N 3.37Å; R1183-D1186 HydrophobicContact CB-CB 4.05Å; R1183-D1186 WeakPolarHBondContact CD-OD2 3.43Å; R1183-D1186 PolarHBondContact O-N 2.84Å; R1183-L1187 PolarHBondContact O-N 2.73Å | ||
| 1184 | L | 77.4 | Confident | 79.1 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 25% | 0.251 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.1 | -33.1 | -172.6 | -58.4 | 179.5 | 0 | 0 | 0 | 113.1 | N1182 L1187 E1188 A1214 I1217 | N1182-L1184 VanDerWaalsContact C-N 3.28Å; N1182-L1184 PolarHBondContact O-N 3.44Å; L1184-L1187 WeakPolarHBondContact O-CB 3.29Å; L1184-L1187 PolarHBondContact O-N 3.27Å; L1184-E1188 PolarHBondContact O-N 2.97Å; L1184-A1214 HydrophobicContact CD2-CB 4.05Å; L1184-I1217 HydrophobicContact CB-CD1 4.42Å |
| 1185 | S | 78.8 | Confident | 78.9 | Confident | 81 Ų | 81 | 54.8 Ų | 54.8 | 57% | 0.566 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 174.1 | 57.4 | 0 | 0 | 0 | 0 | 112.2 | R1183 L1187 E1188 E1189 | R1183-S1185 VanDerWaalsContact C-N 3.32Å; R1183-S1185 PolarHBondContact O-N 3.37Å; S1185-L1187 PolarHBondContact O-N 3.23Å; S1185-E1188 PolarHBondContact O-N 3.14Å; S1185-E1189 WeakPolarHBondContact O-CB 3.19Å; S1185-E1189 PolarHBondContact O-N 3.45Å |
| 1186 | D | 78.2 | Confident | 78.7 | Confident | 53 Ų | 53 | 60.7 Ų | 60.7 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.1 | -34.8 | 178.6 | -62.8 | -0.1 | 0 | 0 | 0 | 109.9 | Y1178 R1183 F1190 | Y1178-D1186 HydrophobicContact CD1-CB 3.96Å; Y1178-D1186 HydrophobicContact CE1-CB 3.97Å; Y1178-D1186 HydrophobicContact CG-CB 4.36Å; R1183-D1186 HydrophobicContact CB-CB 4.05Å; R1183-D1186 WeakPolarHBondContact CD-OD2 3.43Å; R1183-D1186 PolarHBondContact O-N 2.84Å; D1186-F1190 WeakPolarHBondContact O-CB 3.45Å; D1186-F1190 PolarHBondContact O-N 3.35Å |
| 1187 | L | 81.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.1 | -46.5 | 175 | -176.3 | 63.2 | 0 | 0 | 0 | 111.7 | A1175 A1179 R1183 L1184 S1185 F1190 I1191 A1214 L1218 | A1175-L1187 HydrophobicContact CB-CD1 4.15Å; A1175-L1187 WeakPolarHBondContact O-CD1 3.41Å; A1179-L1187 HydrophobicContact CB-CD2 4.07Å; R1183-L1187 PolarHBondContact O-N 2.73Å; L1184-L1187 WeakPolarHBondContact O-CB 3.29Å; L1184-L1187 PolarHBondContact O-N 3.27Å; S1185-L1187 PolarHBondContact O-N 3.23Å; L1187-F1190 PolarHBondContact O-N 2.84Å; L1187-I1191 HydrophobicContact CD1-CD1 3.8Å; L1187-I1191 HydrophobicContact CD1-CG1 4.22Å; L1187-I1191 HydrophobicContact CD2-CD1 4.45Å; L1187-I1191 HydrophobicContact CG-CD1 3.66Å; L1187-I1191 HydrophobicContact CG-CG1 4.48Å; L1187-I1191 WeakPolarHBondContact O-CB 3.5Å; L1187-I1191 VanDerWaalsContact O-CD1 3.32Å; L1187-I1191 WeakPolarHBondContact O-CD1 3.33Å; L1187-I1191 WeakPolarHBondContact O-CG1 3.39Å; L1187-I1191 PolarHBondContact O-N 3.42Å; L1187-A1214 HydrophobicContact CD2-CB 4.16Å; L1187-L1218 HydrophobicContact CD1-CD2 4.43Å |
| 1188 | E | 77 | Confident | 78.4 | Confident | 106 Ų | 106 | 64.5 Ų | 64.5 | 50% | 0.495 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 175.8 | -76.8 | -177.4 | 171.8 | 0 | 0 | 112.1 | L1184 S1185 I1191 S1192 I1217 | L1184-E1188 PolarHBondContact O-N 2.97Å; S1185-E1188 PolarHBondContact O-N 3.14Å; E1188-I1191 PolarHBondContact O-N 3.43Å; E1188-S1192 VanDerWaalsContact O-CB 3.23Å; E1188-S1192 WeakPolarHBondContact O-CB 3.35Å; E1188-S1192 PolarHBondContact O-N 3.24Å; E1188-S1192 PolarHBondContact O-OG 3.31Å; E1188-I1217 HydrophobicContact CG-CD1 4.15Å; E1188-I1217 HydrophobicContact CG-CG2 3.76Å |
| 1189 | E | 78.5 | Confident | 78.4 | Confident | 144 Ų | 144 | 64.4 Ų | 64.4 | 67% | 0.673 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.5 | -41.6 | 174.7 | -167.8 | 177.3 | 178 | 0 | 0 | 111.1 | S1185 S1192 G1193 | S1185-E1189 WeakPolarHBondContact O-CB 3.19Å; S1185-E1189 PolarHBondContact O-N 3.45Å; E1189-S1192 WeakPolarHBondContact CA-OG 3.43Å; E1189-S1192 PolarHBondContact O-OG 2.9Å; E1189-S1192 VanDerWaalsContact O-OG 3.14Å; E1189-G1193 PolarHBondContact O-N 3.41Å |
| 1190 | F | 80.6 | Confident | 78.6 | Confident | 20 Ų | 20 | 66.6 Ų | 66.6 | 9% | 0.088 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 176.8 | 175.1 | -97.1 | 0 | 0 | 0 | 112.8 | E1171 A1175 D1186 L1187 N1195 A1197 | E1171-F1190 HydrophobicContact CB-CZ 4.19Å; A1175-F1190 HydrophobicContact CB-CD1 4.03Å; A1175-F1190 HydrophobicContact CB-CE1 3.62Å; A1175-F1190 HydrophobicContact CB-CZ 4.44Å; D1186-F1190 WeakPolarHBondContact O-CB 3.45Å; D1186-F1190 PolarHBondContact O-N 3.35Å; L1187-F1190 PolarHBondContact O-N 2.84Å; F1190-N1195 HydrophobicContact CE1-CB 4.21Å; F1190-N1195 HydrophobicContact CE2-CB 4.26Å; F1190-N1195 HydrophobicContact CZ-CB 3.9Å; F1190-N1195 PolarHBondContact O-ND2 3.14Å; F1190-A1197 HydrophobicContact CE1-CB 3.87Å; F1190-A1197 HydrophobicContact CZ-CB 3.95Å |
| 1191 | I | 82 | Confident | 78.8 | Confident | 13 Ų | 13 | 66 Ų | 66 | 7% | 0.067 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -76.3 | -35.9 | -179.3 | -64.1 | 159.5 | 0 | 0 | 0 | 111.6 | L1187 E1188 G1193 N1195 I1199 I1217 L1218 N1221 | L1187-I1191 HydrophobicContact CD1-CD1 3.8Å; L1187-I1191 HydrophobicContact CD1-CG1 4.22Å; L1187-I1191 HydrophobicContact CD2-CD1 4.45Å; L1187-I1191 HydrophobicContact CG-CD1 3.66Å; L1187-I1191 HydrophobicContact CG-CG1 4.48Å; L1187-I1191 WeakPolarHBondContact O-CB 3.5Å; L1187-I1191 VanDerWaalsContact O-CD1 3.32Å; L1187-I1191 WeakPolarHBondContact O-CD1 3.33Å; L1187-I1191 WeakPolarHBondContact O-CG1 3.39Å; L1187-I1191 PolarHBondContact O-N 3.42Å; E1188-I1191 PolarHBondContact O-N 3.43Å; I1191-G1193 VanDerWaalsContact C-N 3.32Å; I1191-N1195 PolarHBondContact O-ND2 2.86Å; I1191-I1199 HydrophobicContact CG2-CD1 4.12Å; I1191-I1217 HydrophobicContact CD1-CG2 4.18Å; I1191-L1218 HydrophobicContact CD1-CD2 3.38Å; I1191-L1218 HydrophobicContact CD1-CG 4.19Å; I1191-L1218 HydrophobicContact CG1-CD2 4.16Å; I1191-N1221 HydrophobicContact CG2-CB 3.86Å; I1191-N1221 WeakPolarHBondContact CG2-ND2 3.35Å; I1191-N1221 WeakPolarHBondContact CG2-OD1 3.43Å |
| 1192 | S | 77.6 | Confident | 79 | Confident | 99 Ų | 99 | 64.4 Ų | 64.4 | 69% | 0.692 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -73 | -25.6 | 176.9 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | E1188 E1189 | E1188-S1192 VanDerWaalsContact O-CB 3.23Å; E1188-S1192 WeakPolarHBondContact O-CB 3.35Å; E1188-S1192 PolarHBondContact O-N 3.24Å; E1188-S1192 PolarHBondContact O-OG 3.31Å; E1189-S1192 WeakPolarHBondContact CA-OG 3.43Å; E1189-S1192 PolarHBondContact O-OG 2.9Å; E1189-S1192 VanDerWaalsContact O-OG 3.14Å |
| 1193 | G | 75.4 | Confident | 79.3 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 26% | 0.258 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -81.9 | 163 | 171 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1189 I1191 N1195 | E1189-G1193 PolarHBondContact O-N 3.41Å; I1191-G1193 VanDerWaalsContact C-N 3.32Å; G1193-N1195 PolarHBondContact O-N 3.32Å; G1193-N1195 PolarHBondContact O-ND2 3.35Å |
| 1194 | P | 70.6 | Confident | 79.6 | Confident | 134 Ų | 134 | 55.6 Ų | 55.6 | 87% | 0.87 | 32% | 0.317 | S | S | * | . | trans | -64.5 | 121.4 | 177 | 23.8 | -30.6 | 0 | 0 | 0 | 111.7 | ||||
| 1195 | N | 76.6 | Confident | 79.8 | Confident | 37 Ų | 37 | 56.1 Ų | 56.1 | 20% | 0.198 | 32% | 0.316 | C | S | . | . | trans | -139.8 | 157.4 | -177.7 | 64.6 | 77.6 | 0 | 0 | 0 | 111.1 | F1190 I1191 G1193 A1197 | F1190-N1195 HydrophobicContact CE1-CB 4.21Å; F1190-N1195 HydrophobicContact CE2-CB 4.26Å; F1190-N1195 HydrophobicContact CZ-CB 3.9Å; F1190-N1195 PolarHBondContact O-ND2 3.14Å; I1191-N1195 PolarHBondContact O-ND2 2.86Å; G1193-N1195 PolarHBondContact O-N 3.32Å; G1193-N1195 PolarHBondContact O-ND2 3.35Å; N1195-A1197 PolarHBondContact OD1-N 3.34Å | ||
| 1196 | H | 78.1 | Confident | 79.9 | Confident | 125 Ų | 125 | 52.2 Ų | 52.2 | 58% | 0.579 | 29% | 0.289 | S | S | * | . | trans | -108.4 | 16.1 | 171.9 | -58.7 | 80 | 0 | 0 | 0 | 111.6 | T1168 E1171 | T1168-H1196 VanDerWaalsContact CG2-O 3.25Å; T1168-H1196 WeakPolarHBondContact CG2-O 3.5Å; T1168-H1196 PolarHBondContact OG1-O 2.74Å; E1171-H1196 WeakPolarHBondContact OE2-CA 3.48Å; E1171-H1196 WeakPolarHBondContact OE2-CB 3.13Å; E1171-H1196 PolarHBondContact OE2-N 2.97Å; E1171-H1196 IonicContact OE2-ND1 3.72Å | ||
| 1197 | A | 75.2 | Confident | 80.1 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 10% | 0.099 | 28% | 0.28 | C | S | . | . | trans | -70.5 | 144.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | E1171 F1190 N1195 I1199 | E1171-A1197 HydrophobicContact CB-CB 4.04Å; F1190-A1197 HydrophobicContact CE1-CB 3.87Å; F1190-A1197 HydrophobicContact CZ-CB 3.95Å; N1195-A1197 PolarHBondContact OD1-N 3.34Å; A1197-I1199 VanDerWaalsContact C-N 3.26Å; A1197-I1199 PolarHBondContact O-N 3.36Å | ||
| 1198 | N | 83.3 | Confident | 80.1 | Confident | 70 Ų | 70 | 56.2 Ų | 56.2 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | trans | -82.5 | 79.6 | 170.5 | -167.9 | -20.7 | 0 | 0 | 0 | 109.1 | T1168 S1172 T1200 V1201 V1202 | T1168-N1198 HydrophobicContact CG2-CB 4.27Å; S1172-N1198 PolarHBondContact OG-N 3.04Å; N1198-T1200 PolarHBondContact O-N 3Å; N1198-T1200 VanDerWaalsContact O-N 3.12Å; N1198-V1201 HydrophobicContact CB-CB 4.25Å; N1198-V1201 HydrophobicContact CB-CG2 4.3Å; N1198-V1201 VanDerWaalsContact CG-CG2 3.48Å; N1198-V1201 VanDerWaalsContact ND2-CG2 3.3Å; N1198-V1201 WeakPolarHBondContact ND2-CG2 3.45Å; N1198-V1201 PolarHBondContact O-N 3.39Å; N1198-V1201 PolarHBondContact OD1-N 3.07Å; N1198-V1202 WeakPolarHBondContact O-CG2 3.45Å; N1198-V1202 PolarHBondContact O-N 3.32Å; N1198-V1202 VanDerWaalsContact O-N 3.1Å | ||
| 1199 | I | 82.3 | Confident | 80.2 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 13% | 0.128 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -54 | -35.1 | -174.7 | -56.7 | 169.8 | 0 | 0 | 0 | 111.1 | I1191 A1197 V1202 A1203 L1218 V1222 | I1191-I1199 HydrophobicContact CG2-CD1 4.12Å; A1197-I1199 VanDerWaalsContact C-N 3.26Å; A1197-I1199 PolarHBondContact O-N 3.36Å; I1199-V1202 PolarHBondContact O-N 3.42Å; I1199-A1203 VanDerWaalsContact O-CB 3.3Å; I1199-A1203 WeakPolarHBondContact O-CB 3.44Å; I1199-A1203 PolarHBondContact O-N 3.44Å; I1199-L1218 HydrophobicContact CG2-CB 4.34Å; I1199-L1218 HydrophobicContact CG2-CD2 3.59Å; I1199-V1222 HydrophobicContact CB-CG2 3.79Å; I1199-V1222 HydrophobicContact CG2-CG2 3.43Å; I1199-V1222 VanDerWaalsContact CG2-CG2 3.43Å |
| 1200 | T | 84 | Confident | 80.2 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 31% | 0.307 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 177.6 | -46.2 | 0 | 0 | 0 | 0 | 112.5 | N1198 V1202 A1203 D1204 | N1198-T1200 PolarHBondContact O-N 3Å; N1198-T1200 VanDerWaalsContact O-N 3.12Å; T1200-V1202 VanDerWaalsContact C-N 3.31Å; T1200-V1202 PolarHBondContact O-N 3.21Å; T1200-A1203 WeakPolarHBondContact O-CB 3.46Å; T1200-A1203 PolarHBondContact O-N 3.35Å; T1200-D1204 PolarHBondContact O-N 3.29Å |
| 1201 | V | 82.9 | Confident | 80.2 | Confident | 82 Ų | 82 | 55.7 Ų | 55.7 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 178.8 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | N1198 D1204 R1205 | N1198-V1201 HydrophobicContact CB-CB 4.25Å; N1198-V1201 HydrophobicContact CB-CG2 4.3Å; N1198-V1201 VanDerWaalsContact CG-CG2 3.48Å; N1198-V1201 VanDerWaalsContact ND2-CG2 3.3Å; N1198-V1201 WeakPolarHBondContact ND2-CG2 3.45Å; N1198-V1201 PolarHBondContact O-N 3.39Å; N1198-V1201 PolarHBondContact OD1-N 3.07Å; V1201-D1204 PolarHBondContact O-N 3.02Å; V1201-R1205 WeakPolarHBondContact O-CB 3.29Å; V1201-R1205 PolarHBondContact O-N 3.17Å |
| 1202 | V | 83.2 | Confident | 80.2 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 174.6 | -179 | 0 | 0 | 0 | 0 | 110.6 | S1172 A1175 F1176 N1198 I1199 T1200 R1205 C1206 L1218 | S1172-V1202 WeakPolarHBondContact O-CG2 3.16Å; A1175-V1202 HydrophobicContact CB-CG1 3.99Å; A1175-V1202 HydrophobicContact CB-CG2 4.24Å; F1176-V1202 HydrophobicContact CB-CG1 4.04Å; F1176-V1202 HydrophobicContact CD2-CG1 4.29Å; N1198-V1202 WeakPolarHBondContact O-CG2 3.45Å; N1198-V1202 PolarHBondContact O-N 3.32Å; N1198-V1202 VanDerWaalsContact O-N 3.1Å; I1199-V1202 PolarHBondContact O-N 3.42Å; T1200-V1202 VanDerWaalsContact C-N 3.31Å; T1200-V1202 PolarHBondContact O-N 3.21Å; V1202-R1205 PolarHBondContact O-N 2.92Å; V1202-C1206 WeakPolarHBondContact O-CB 3.29Å; V1202-C1206 PolarHBondContact O-N 3.39Å; V1202-C1206 PolarHBondContact O-SG 2.9Å; V1202-L1218 HydrophobicContact CG1-CD1 3.94Å; V1202-L1218 HydrophobicContact CG1-CD2 4.43Å |
| 1203 | A | 83 | Confident | 80.3 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1199 T1200 R1205 C1206 F1207 L1218 Y1219 | I1199-A1203 VanDerWaalsContact O-CB 3.3Å; I1199-A1203 WeakPolarHBondContact O-CB 3.44Å; I1199-A1203 PolarHBondContact O-N 3.44Å; T1200-A1203 WeakPolarHBondContact O-CB 3.46Å; T1200-A1203 PolarHBondContact O-N 3.35Å; A1203-R1205 VanDerWaalsContact C-N 3.34Å; A1203-R1205 PolarHBondContact O-N 3.17Å; A1203-C1206 PolarHBondContact O-N 3.19Å; A1203-F1207 WeakPolarHBondContact O-CB 3.37Å; A1203-F1207 PolarHBondContact O-N 3.25Å; A1203-L1218 HydrophobicContact CB-CB 3.59Å; A1203-L1218 HydrophobicContact CB-CD1 4.29Å; A1203-Y1219 HydrophobicContact CB-CD1 3.56Å; A1203-Y1219 HydrophobicContact CB-CD2 4.22Å; A1203-Y1219 HydrophobicContact CB-CE1 3.37Å; A1203-Y1219 HydrophobicContact CB-CE2 4.08Å; A1203-Y1219 HydrophobicContact CB-CG 4.01Å |
| 1204 | D | 84.9 | Confident | 80.6 | Confident | 40 Ų | 40 | 55.9 Ų | 55.9 | 21% | 0.214 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 175.8 | -71.4 | -23.7 | 0 | 0 | 0 | 110.9 | T1200 V1201 C1206 F1207 D1208 Y1219 R1227 | T1200-D1204 PolarHBondContact O-N 3.29Å; V1201-D1204 PolarHBondContact O-N 3.02Å; D1204-C1206 PolarHBondContact O-N 2.99Å; D1204-F1207 WeakPolarHBondContact O-CB 3.35Å; D1204-F1207 PolarHBondContact O-N 2.86Å; D1204-D1208 VanDerWaalsContact O-CG 3.25Å; D1204-D1208 PolarHBondContact O-N 3.08Å; D1204-Y1219 VanDerWaalsContact CA-OH 3.24Å; D1204-Y1219 WeakPolarHBondContact CA-OH 3.35Å; D1204-Y1219 PolarHBondContact N-OH 2.99Å; D1204-Y1219 WeakPolarHBondContact OD1-CE1 3.4Å; D1204-Y1219 PolarHBondContact OD1-OH 3.39Å; D1204-R1227 IonicContact OD1-CZ 2.83Å; D1204-R1227 IonicContact OD1-NE 3.9Å; D1204-R1227 IonicContact OD1-NH2 2.92Å |
| 1205 | R | 82.1 | Confident | 81.2 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 22% | 0.219 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.4 | -39 | 176.9 | -165.3 | -178.4 | 179.4 | -162.8 | 0.2 | 112.6 | S1146 E1173 F1176 V1201 V1202 A1203 F1207 Q1209 | S1146-R1205 PolarHBondContact OG-NH2 3.32Å; E1173-R1205 IonicContact OE1-CZ 2.91Å; E1173-R1205 IonicContact OE1-NH1 3.07Å; E1173-R1205 PolarHBondContact OE1-NH1 2.61Å; E1173-R1205 IonicContact OE2-CZ 3.3Å; E1173-R1205 IonicContact OE2-NH1 3.03Å; E1173-R1205 PolarHBondContact OE2-NH1 3Å; E1173-R1205 IonicContact OE2-NH2 2.72Å; F1176-R1205 VanDerWaalsContact CD1-NH1 3.26Å; F1176-R1205 HydrophobicContact CD2-CB 4.03Å; F1176-R1205 HydrophobicContact CD2-CG 3.9Å; F1176-R1205 HydrophobicContact CE2-CB 3.89Å; F1176-R1205 HydrophobicContact CE2-CG 3.49Å; F1176-R1205 VanDerWaalsContact CE2-CG 3.49Å; F1176-R1205 HydrophobicContact CZ-CG 3.9Å; V1201-R1205 WeakPolarHBondContact O-CB 3.29Å; V1201-R1205 PolarHBondContact O-N 3.17Å; V1202-R1205 PolarHBondContact O-N 2.92Å; A1203-R1205 VanDerWaalsContact C-N 3.34Å; A1203-R1205 PolarHBondContact O-N 3.17Å; R1205-F1207 VanDerWaalsContact C-N 3.33Å; R1205-Q1209 WeakPolarHBondContact O-CG 3.49Å; R1205-Q1209 PolarHBondContact O-N 3.21Å; R1205-Q1209 VanDerWaalsContact O-N 3.16Å |
| 1206 | C | 81.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 174.1 | -73.8 | 0 | 0 | 0 | 0 | 111.1 | A1179 V1202 A1203 D1204 Q1209 Q1210 L1211 A1215 L1218 | A1179-C1206 VanDerWaalsContact CB-SG 3.56Å; V1202-C1206 WeakPolarHBondContact O-CB 3.29Å; V1202-C1206 PolarHBondContact O-N 3.39Å; V1202-C1206 PolarHBondContact O-SG 2.9Å; A1203-C1206 PolarHBondContact O-N 3.19Å; D1204-C1206 PolarHBondContact O-N 2.99Å; C1206-Q1209 CarbonylContact O-C 3.46Å; C1206-Q1209 PolarHBondContact O-N 3.4Å; C1206-Q1210 PolarHBondContact O-N 2.71Å; C1206-L1211 HydrophobicContact CB-CB 4.2Å; C1206-L1211 WeakPolarHBondContact O-CA 3.33Å; C1206-L1211 WeakPolarHBondContact O-CB 3.26Å; C1206-L1211 PolarHBondContact O-N 3.08Å; C1206-A1215 HydrophobicContact CB-CB 4.02Å; C1206-L1218 HydrophobicContact CB-CD1 4.2Å |
| 1207 | F | 81.1 | Confident | 81.7 | Confident | 21 Ų | 21 | 46.2 Ų | 46.2 | 9% | 0.092 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -49.1 | 176.7 | -178.3 | -98.7 | 0 | 0 | 0 | 112 | A1203 D1204 R1205 Q1209 Q1210 Y1212 A1215 Y1219 I1230 T1231 H1234 | A1203-F1207 WeakPolarHBondContact O-CB 3.37Å; A1203-F1207 PolarHBondContact O-N 3.25Å; D1204-F1207 WeakPolarHBondContact O-CB 3.35Å; D1204-F1207 PolarHBondContact O-N 2.86Å; R1205-F1207 VanDerWaalsContact C-N 3.33Å; F1207-Q1209 PolarHBondContact O-N 3.28Å; F1207-Q1210 PolarHBondContact O-N 3.06Å; F1207-Y1212 AromaticContact CD2-CD1 3.89Å; F1207-Y1212 HydrophobicContact CD2-CD1 3.89Å; F1207-Y1212 AromaticContact CD2-CE1 3.91Å; F1207-Y1212 HydrophobicContact CD2-CE1 3.91Å; F1207-Y1212 HydrophobicContact CE2-CD1 4.06Å; F1207-Y1212 AromaticContact CE2-CE1 3.82Å; F1207-Y1212 HydrophobicContact CE2-CE1 3.82Å; F1207-Y1212 HydrophobicContact CZ-CE1 4.48Å; F1207-A1215 HydrophobicContact CB-CB 4.34Å; F1207-Y1219 HydrophobicContact CB-CE2 4.02Å; F1207-Y1219 HydrophobicContact CD2-CE2 4.46Å; F1207-Y1219 HydrophobicContact CG-CE2 4.42Å; F1207-I1230 HydrophobicContact CE1-CG2 4.4Å; F1207-I1230 HydrophobicContact CE2-CB 4.35Å; F1207-I1230 HydrophobicContact CE2-CG2 3.96Å; F1207-I1230 HydrophobicContact CZ-CB 4.19Å; F1207-I1230 HydrophobicContact CZ-CG2 3.43Å; F1207-I1230 VanDerWaalsContact CZ-CG2 3.43Å; F1207-T1231 HydrophobicContact CD2-CG2 3.23Å; F1207-T1231 HydrophobicContact CE2-CG2 3.62Å; F1207-T1231 HydrophobicContact CG-CG2 4.23Å; F1207-H1234 AromaticContact CE2-CD2 3.61Å; F1207-H1234 AromaticContact CZ-CD2 3.55Å; F1207-H1234 AromaticContact CZ-NE2 3.74Å |
| 1208 | D | 81 | Confident | 82.1 | Confident | 115 Ų | 115 | 45.7 Ų | 45.7 | 62% | 0.615 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -63.6 | -28.2 | -179.7 | -66.8 | -20.6 | 0 | 0 | 0 | 112.1 | D1204 Q1210 | D1204-D1208 VanDerWaalsContact O-CG 3.25Å; D1204-D1208 PolarHBondContact O-N 3.08Å; D1208-Q1210 VanDerWaalsContact C-N 3.34Å |
| 1209 | Q | 79.6 | Confident | 82.2 | Confident | 70 Ų | 70 | 42.3 Ų | 42.3 | 33% | 0.327 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 13.5 | 174.2 | -65.9 | -166.2 | 17.3 | 0 | 0 | 114.5 | F1176 R1205 C1206 F1207 L1211 | F1176-Q1209 VanDerWaalsContact CZ-CD 3.48Å; F1176-Q1209 HydrophobicContact CZ-CG 4.42Å; F1176-Q1209 VanDerWaalsContact CZ-OE1 3.29Å; R1205-Q1209 WeakPolarHBondContact O-CG 3.49Å; R1205-Q1209 PolarHBondContact O-N 3.21Å; R1205-Q1209 VanDerWaalsContact O-N 3.16Å; C1206-Q1209 CarbonylContact O-C 3.46Å; C1206-Q1209 PolarHBondContact O-N 3.4Å; F1207-Q1209 PolarHBondContact O-N 3.28Å; Q1209-L1211 HydrophobicContact CB-CD1 4.38Å; Q1209-L1211 HydrophobicContact CB-CG 4.39Å; Q1209-L1211 PolarHBondContact O-N 3.21Å; Q1209-L1211 VanDerWaalsContact O-N 3.17Å |
| 1210 | Q | 78.9 | Confident | 82.2 | Confident | 140 Ų | 140 | 44.5 Ų | 44.5 | 65% | 0.654 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | 20.9 | 177.8 | -48.5 | -172.3 | -19.3 | 0 | 0 | 114.8 | C1206 F1207 D1208 Y1212 | C1206-Q1210 PolarHBondContact O-N 2.71Å; F1207-Q1210 PolarHBondContact O-N 3.06Å; D1208-Q1210 VanDerWaalsContact C-N 3.34Å; Q1210-Y1212 HydrophobicContact CB-CD2 4.41Å; Q1210-Y1212 HydrophobicContact CB-CE1 4.47Å; Q1210-Y1212 HydrophobicContact CB-CE2 3.69Å; Q1210-Y1212 HydrophobicContact CG-CE2 4.29Å; Q1210-Y1212 WeakPolarHBondContact CG-OH 3.47Å; Q1210-Y1212 WeakPolarHBondContact O-CD2 3.47Å; Q1210-Y1212 PolarHBondContact O-N 2.85Å |
| 1211 | L | 80.4 | Confident | 82 | Confident | 50 Ų | 50 | 46 Ų | 46 | 26% | 0.262 | 23% | 0.234 | S | C | . | . | trans | -83.8 | 60.8 | 173.8 | -61.4 | 170.6 | 0 | 0 | 0 | 109.5 | F1176 R1180 C1206 Q1209 E1213 A1214 A1215 | F1176-L1211 HydrophobicContact CE2-CD1 4.41Å; F1176-L1211 HydrophobicContact CZ-CD1 4.39Å; R1180-L1211 HydrophobicContact CB-CD1 4.29Å; C1206-L1211 HydrophobicContact CB-CB 4.2Å; C1206-L1211 WeakPolarHBondContact O-CA 3.33Å; C1206-L1211 WeakPolarHBondContact O-CB 3.26Å; C1206-L1211 PolarHBondContact O-N 3.08Å; Q1209-L1211 HydrophobicContact CB-CD1 4.38Å; Q1209-L1211 HydrophobicContact CB-CG 4.39Å; Q1209-L1211 PolarHBondContact O-N 3.21Å; Q1209-L1211 VanDerWaalsContact O-N 3.17Å; L1211-E1213 PolarHBondContact O-N 2.99Å; L1211-A1214 HydrophobicContact CB-CB 4.49Å; L1211-A1214 PolarHBondContact O-N 2.75Å; L1211-A1215 WeakPolarHBondContact O-CB 2.96Å; L1211-A1215 PolarHBondContact O-N 2.77Å | ||
| 1212 | Y | 82.5 | Confident | 82 | Confident | 38 Ų | 38 | 44.3 Ų | 44.3 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.2 | -30.8 | -165.9 | -55.7 | -63.2 | 0 | 0 | 0 | 114.3 | F1207 Q1210 A1215 K1216 H1234 | F1207-Y1212 AromaticContact CD2-CD1 3.89Å; F1207-Y1212 HydrophobicContact CD2-CD1 3.89Å; F1207-Y1212 AromaticContact CD2-CE1 3.91Å; F1207-Y1212 HydrophobicContact CD2-CE1 3.91Å; F1207-Y1212 HydrophobicContact CE2-CD1 4.06Å; F1207-Y1212 AromaticContact CE2-CE1 3.82Å; F1207-Y1212 HydrophobicContact CE2-CE1 3.82Å; F1207-Y1212 HydrophobicContact CZ-CE1 4.48Å; Q1210-Y1212 HydrophobicContact CB-CD2 4.41Å; Q1210-Y1212 HydrophobicContact CB-CE1 4.47Å; Q1210-Y1212 HydrophobicContact CB-CE2 3.69Å; Q1210-Y1212 HydrophobicContact CG-CE2 4.29Å; Q1210-Y1212 WeakPolarHBondContact CG-OH 3.47Å; Q1210-Y1212 WeakPolarHBondContact O-CD2 3.47Å; Q1210-Y1212 PolarHBondContact O-N 2.85Å; Y1212-A1215 PolarHBondContact O-N 2.82Å; Y1212-K1216 VanDerWaalsContact O-CB 3.32Å; Y1212-K1216 WeakPolarHBondContact O-CB 3.4Å; Y1212-K1216 PolarHBondContact O-N 3.47Å; Y1212-H1234 HydrophobicContact CD1-CB 3.73Å; Y1212-H1234 HydrophobicContact CD2-CB 3.9Å; Y1212-H1234 HydrophobicContact CE1-CB 3.47Å; Y1212-H1234 VanDerWaalsContact CE1-CB 3.47Å; Y1212-H1234 AromaticContact CE1-CD2 3.9Å; Y1212-H1234 AromaticContact CE1-CG 3.62Å; Y1212-H1234 HydrophobicContact CE2-CB 3.66Å; Y1212-H1234 HydrophobicContact CG-CB 3.93Å; Y1212-H1234 VanDerWaalsContact CZ-CB 3.42Å; Y1212-H1234 AromaticContact CZ-CG 3.55Å; Y1212-H1234 AromaticContact CZ-ND1 3.81Å; Y1212-H1234 PolarHBondContact OH-ND1 3.37Å |
| 1213 | E | 80.5 | Confident | 81.9 | Confident | 99 Ų | 99 | 47.2 Ų | 47.2 | 46% | 0.463 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.5 | -44.5 | 175.5 | -73.5 | -66.7 | 178.8 | 0 | 0 | 111.8 | L1211 K1216 I1217 L1235 | L1211-E1213 PolarHBondContact O-N 2.99Å; E1213-K1216 WeakPolarHBondContact O-CB 3.08Å; E1213-K1216 PolarHBondContact O-N 2.89Å; E1213-I1217 PolarHBondContact O-N 2.98Å; E1213-L1235 HydrophobicContact CG-CD2 4.15Å |
| 1214 | A | 81.4 | Confident | 81.8 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.4 | -42 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1179 L1184 L1187 L1211 K1216 I1217 L1218 | A1179-A1214 HydrophobicContact CB-CB 3.66Å; L1184-A1214 HydrophobicContact CD2-CB 4.05Å; L1187-A1214 HydrophobicContact CD2-CB 4.16Å; L1211-A1214 HydrophobicContact CB-CB 4.49Å; L1211-A1214 PolarHBondContact O-N 2.75Å; A1214-K1216 VanDerWaalsContact C-N 3.3Å; A1214-K1216 PolarHBondContact O-N 2.92Å; A1214-I1217 PolarHBondContact O-N 2.83Å; A1214-L1218 WeakPolarHBondContact O-CD1 3.48Å; A1214-L1218 VanDerWaalsContact O-CG 3.25Å; A1214-L1218 WeakPolarHBondContact O-CG 3.38Å; A1214-L1218 PolarHBondContact O-N 2.82Å |
| 1215 | A | 83.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.7 | -35.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1206 F1207 L1211 Y1212 L1218 Y1219 T1231 | C1206-A1215 HydrophobicContact CB-CB 4.02Å; F1207-A1215 HydrophobicContact CB-CB 4.34Å; L1211-A1215 WeakPolarHBondContact O-CB 2.96Å; L1211-A1215 PolarHBondContact O-N 2.77Å; Y1212-A1215 PolarHBondContact O-N 2.82Å; A1215-L1218 PolarHBondContact O-N 2.85Å; A1215-Y1219 HydrophobicContact CB-CD2 4.12Å; A1215-Y1219 HydrophobicContact CB-CE2 4.08Å; A1215-Y1219 WeakPolarHBondContact O-CB 3.5Å; A1215-Y1219 WeakPolarHBondContact O-CD2 3.19Å; A1215-Y1219 PolarHBondContact O-N 3.04Å; A1215-T1231 HydrophobicContact CB-CG2 4.2Å |
| 1216 | K | 81.9 | Confident | 81.7 | Confident | 57 Ų | 57 | 50.2 Ų | 50.2 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.6 | -47 | 174.9 | 176.1 | 176.6 | 173.4 | 174.2 | 0 | 111 | Y1212 E1213 A1214 S1220 L1228 L1232 L1235 E1237 | Y1212-K1216 VanDerWaalsContact O-CB 3.32Å; Y1212-K1216 WeakPolarHBondContact O-CB 3.4Å; Y1212-K1216 PolarHBondContact O-N 3.47Å; E1213-K1216 WeakPolarHBondContact O-CB 3.08Å; E1213-K1216 PolarHBondContact O-N 2.89Å; A1214-K1216 VanDerWaalsContact C-N 3.3Å; A1214-K1216 PolarHBondContact O-N 2.92Å; K1216-S1220 WeakPolarHBondContact O-CB 3.12Å; K1216-S1220 PolarHBondContact O-N 3.38Å; K1216-L1228 HydrophobicContact CG-CD1 4.35Å; K1216-L1232 HydrophobicContact CD-CD2 4.02Å; K1216-L1232 HydrophobicContact CG-CD2 4.4Å; K1216-L1235 HydrophobicContact CB-CD1 4.08Å; K1216-L1235 HydrophobicContact CD-CD1 3.73Å; K1216-L1235 HydrophobicContact CG-CD1 4.46Å; K1216-E1237 IonicContact NZ-OE1 3.24Å; K1216-E1237 PolarHBondContact NZ-OE1 2.92Å; K1216-E1237 IonicContact NZ-OE2 2.83Å; K1216-E1237 PolarHBondContact NZ-OE2 3.16Å |
| 1217 | I | 82.1 | Confident | 81.6 | Confident | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.185 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 175.7 | -64.1 | 166.9 | 0 | 0 | 0 | 110.3 | L1184 E1188 I1191 E1213 A1214 S1220 N1221 | L1184-I1217 HydrophobicContact CB-CD1 4.42Å; E1188-I1217 HydrophobicContact CG-CD1 4.15Å; E1188-I1217 HydrophobicContact CG-CG2 3.76Å; I1191-I1217 HydrophobicContact CD1-CG2 4.18Å; E1213-I1217 PolarHBondContact O-N 2.98Å; A1214-I1217 PolarHBondContact O-N 2.83Å; I1217-S1220 PolarHBondContact O-N 2.73Å; I1217-N1221 PolarHBondContact O-N 2.97Å; I1217-N1221 VanDerWaalsContact O-N 3.08Å |
| 1218 | L | 84.3 | Confident | 81.6 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.8 | -49.9 | -176.9 | -68.5 | 162.7 | 0 | 0 | 0 | 112.6 | L1187 I1191 I1199 V1202 A1203 C1206 A1214 A1215 S1220 N1221 V1222 | L1187-L1218 HydrophobicContact CD1-CD2 4.43Å; I1191-L1218 HydrophobicContact CD1-CD2 3.38Å; I1191-L1218 HydrophobicContact CD1-CG 4.19Å; I1191-L1218 HydrophobicContact CG1-CD2 4.16Å; I1199-L1218 HydrophobicContact CG2-CB 4.34Å; I1199-L1218 HydrophobicContact CG2-CD2 3.59Å; V1202-L1218 HydrophobicContact CG1-CD1 3.94Å; V1202-L1218 HydrophobicContact CG1-CD2 4.43Å; A1203-L1218 HydrophobicContact CB-CB 3.59Å; A1203-L1218 HydrophobicContact CB-CD1 4.29Å; C1206-L1218 HydrophobicContact CB-CD1 4.2Å; A1214-L1218 WeakPolarHBondContact O-CD1 3.48Å; A1214-L1218 VanDerWaalsContact O-CG 3.25Å; A1214-L1218 WeakPolarHBondContact O-CG 3.38Å; A1214-L1218 PolarHBondContact O-N 2.82Å; A1215-L1218 PolarHBondContact O-N 2.85Å; L1218-S1220 VanDerWaalsContact C-N 3.34Å; L1218-S1220 PolarHBondContact O-N 2.96Å; L1218-N1221 PolarHBondContact O-N 2.81Å; L1218-V1222 WeakPolarHBondContact O-CG2 3.46Å; L1218-V1222 PolarHBondContact O-N 2.92Å |
| 1219 | Y | 84.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.6 | -29.9 | 179.5 | -71.5 | -55.4 | 0 | 0 | 0 | 113.1 | A1203 D1204 F1207 A1215 N1221 S1223 N1224 R1227 T1231 | A1203-Y1219 HydrophobicContact CB-CD1 3.56Å; A1203-Y1219 HydrophobicContact CB-CD2 4.22Å; A1203-Y1219 HydrophobicContact CB-CE1 3.37Å; A1203-Y1219 HydrophobicContact CB-CE2 4.08Å; A1203-Y1219 HydrophobicContact CB-CG 4.01Å; D1204-Y1219 VanDerWaalsContact CA-OH 3.24Å; D1204-Y1219 WeakPolarHBondContact CA-OH 3.35Å; D1204-Y1219 PolarHBondContact N-OH 2.99Å; D1204-Y1219 WeakPolarHBondContact OD1-CE1 3.4Å; D1204-Y1219 PolarHBondContact OD1-OH 3.39Å; F1207-Y1219 HydrophobicContact CB-CE2 4.02Å; F1207-Y1219 HydrophobicContact CD2-CE2 4.46Å; F1207-Y1219 HydrophobicContact CG-CE2 4.42Å; A1215-Y1219 HydrophobicContact CB-CD2 4.12Å; A1215-Y1219 HydrophobicContact CB-CE2 4.08Å; A1215-Y1219 WeakPolarHBondContact O-CB 3.5Å; A1215-Y1219 WeakPolarHBondContact O-CD2 3.19Å; A1215-Y1219 PolarHBondContact O-N 3.04Å; Y1219-N1221 VanDerWaalsContact C-N 3.33Å; Y1219-S1223 PolarHBondContact O-N 3.47Å; Y1219-N1224 HydrophobicContact CD1-CB 4.1Å; Y1219-N1224 PolarHBondContact O-N 2.77Å; Y1219-R1227 HydrophobicContact CD1-CB 3.73Å; Y1219-R1227 HydrophobicContact CD1-CG 4.48Å; Y1219-R1227 HydrophobicContact CD2-CB 4.08Å; Y1219-R1227 HydrophobicContact CE1-CB 3.39Å; Y1219-R1227 HydrophobicContact CE1-CG 3.76Å; Y1219-R1227 HydrophobicContact CE2-CB 3.75Å; Y1219-R1227 HydrophobicContact CG-CB 4.05Å; Y1219-T1231 HydrophobicContact CD2-CG2 3.34Å; Y1219-T1231 HydrophobicContact CE2-CG2 3.33Å |
| 1220 | S | 82.1 | Confident | 81.6 | Confident | 71 Ų | 71 | 46.2 Ų | 46.2 | 50% | 0.497 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 171.5 | -174 | 0 | 0 | 0 | 0 | 110.9 | K1216 I1217 L1218 S1223 | K1216-S1220 WeakPolarHBondContact O-CB 3.12Å; K1216-S1220 PolarHBondContact O-N 3.38Å; I1217-S1220 PolarHBondContact O-N 2.73Å; L1218-S1220 VanDerWaalsContact C-N 3.34Å; L1218-S1220 PolarHBondContact O-N 2.96Å; S1220-S1223 PolarHBondContact O-N 2.89Å |
| 1221 | N | 80.9 | Confident | 81.7 | Confident | 81 Ų | 81 | 39.6 Ų | 39.6 | 43% | 0.433 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.6 | -45.9 | 176.1 | -175.1 | -92.5 | 0 | 0 | 0 | 112.8 | I1191 I1217 L1218 Y1219 S1223 | I1191-N1221 HydrophobicContact CG2-CB 3.86Å; I1191-N1221 WeakPolarHBondContact CG2-ND2 3.35Å; I1191-N1221 WeakPolarHBondContact CG2-OD1 3.43Å; I1217-N1221 PolarHBondContact O-N 2.97Å; I1217-N1221 VanDerWaalsContact O-N 3.08Å; L1218-N1221 PolarHBondContact O-N 2.81Å; Y1219-N1221 VanDerWaalsContact C-N 3.33Å; N1221-S1223 PolarHBondContact O-N 2.78Å |
| 1222 | V | 82 | Confident | 81.7 | Confident | 47 Ų | 47 | 37.8 Ų | 37.8 | 29% | 0.285 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.6 | -12.5 | 177.8 | 179 | 0 | 0 | 0 | 0 | 112.1 | I1199 L1218 N1224 | I1199-V1222 HydrophobicContact CB-CG2 3.79Å; I1199-V1222 HydrophobicContact CG2-CG2 3.43Å; I1199-V1222 VanDerWaalsContact CG2-CG2 3.43Å; L1218-V1222 WeakPolarHBondContact O-CG2 3.46Å; L1218-V1222 PolarHBondContact O-N 2.92Å; V1222-N1224 HydrophobicContact CG1-CB 4.2Å; V1222-N1224 PolarHBondContact O-N 2.87Å |
| 1223 | S | 81.2 | Confident | 81.6 | Confident | 64 Ų | 64 | 36.6 Ų | 36.6 | 45% | 0.448 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 27.1 | -174.4 | -51.6 | 0 | 0 | 0 | 0 | 113.4 | Y1219 S1220 N1221 Y1225 | Y1219-S1223 PolarHBondContact O-N 3.47Å; S1220-S1223 PolarHBondContact O-N 2.89Å; N1221-S1223 PolarHBondContact O-N 2.78Å; S1223-Y1225 WeakPolarHBondContact O-CD2 3.33Å; S1223-Y1225 PolarHBondContact O-N 2.99Å |
| 1224 | N | 81.4 | Confident | 81.4 | Confident | 46 Ų | 46 | 36.6 Ų | 36.6 | 25% | 0.246 | 19% | 0.194 | C | C | . | . | trans | -83.7 | 81.5 | 175.8 | -170.7 | -14.7 | 0 | 0 | 0 | 110.3 | Y1219 V1222 S1226 R1227 L1228 | Y1219-N1224 HydrophobicContact CD1-CB 4.1Å; Y1219-N1224 PolarHBondContact O-N 2.77Å; V1222-N1224 HydrophobicContact CG1-CB 4.2Å; V1222-N1224 PolarHBondContact O-N 2.87Å; N1224-S1226 PolarHBondContact O-N 3.34Å; N1224-S1226 PolarHBondContact OD1-N 3.16Å; N1224-S1226 PolarHBondContact OD1-OG 3.27Å; N1224-R1227 PolarHBondContact O-N 2.88Å; N1224-R1227 PolarHBondContact OD1-N 3.43Å; N1224-L1228 WeakPolarHBondContact O-CB 3.29Å; N1224-L1228 PolarHBondContact O-N 3.35Å | ||
| 1225 | Y | 82.5 | Confident | 81.4 | Confident | 76 Ų | 76 | 38.8 Ų | 38.8 | 30% | 0.298 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.7 | -24.9 | -175.4 | -62.1 | -63.8 | 0 | 0 | 0 | 114.2 | S1223 L1228 A1229 K1247 | S1223-Y1225 WeakPolarHBondContact O-CD2 3.33Å; S1223-Y1225 PolarHBondContact O-N 2.99Å; Y1225-L1228 HydrophobicContact CD1-CD2 3.98Å; Y1225-L1228 HydrophobicContact CE1-CD2 4.38Å; Y1225-A1229 WeakPolarHBondContact O-CB 3.46Å; Y1225-A1229 PolarHBondContact O-N 3.19Å; Y1225-K1247 HydrophobicContact CD1-CB 4.04Å; Y1225-K1247 HydrophobicContact CD1-CD 3.86Å; Y1225-K1247 HydrophobicContact CD2-CB 3.72Å; Y1225-K1247 HydrophobicContact CD2-CD 4.47Å; Y1225-K1247 HydrophobicContact CE1-CD 3.66Å; Y1225-K1247 HydrophobicContact CE2-CB 4.19Å; Y1225-K1247 HydrophobicContact CE2-CD 4.26Å; Y1225-K1247 HydrophobicContact CG-CB 3.64Å; Y1225-K1247 HydrophobicContact CG-CD 4.28Å |
| 1226 | S | 81.7 | Confident | 81.1 | Confident | 40 Ų | 40 | 40.5 Ų | 40.5 | 28% | 0.28 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.4 | -51.8 | 178 | 69.3 | 0 | 0 | 0 | 0 | 111.7 | N1224 A1229 I1230 T1253 | N1224-S1226 PolarHBondContact O-N 3.34Å; N1224-S1226 PolarHBondContact OD1-N 3.16Å; N1224-S1226 PolarHBondContact OD1-OG 3.27Å; S1226-A1229 PolarHBondContact O-N 2.83Å; S1226-I1230 WeakPolarHBondContact O-CG1 3.15Å; S1226-T1253 VanDerWaalsContact CA-CG2 3.49Å |
| 1227 | R | 80.3 | Confident | 81.1 | Confident | 79 Ų | 79 | 41.5 Ų | 41.5 | 30% | 0.298 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -70.8 | -38.4 | 176.3 | -71.7 | -66.5 | -159 | 160.2 | 7.4 | 111.5 | D1204 Y1219 N1224 A1229 I1230 T1231 | D1204-R1227 IonicContact OD1-CZ 2.83Å; D1204-R1227 IonicContact OD1-NE 3.9Å; D1204-R1227 IonicContact OD1-NH2 2.92Å; Y1219-R1227 HydrophobicContact CD1-CB 3.73Å; Y1219-R1227 HydrophobicContact CD1-CG 4.48Å; Y1219-R1227 HydrophobicContact CD2-CB 4.08Å; Y1219-R1227 HydrophobicContact CE1-CB 3.39Å; Y1219-R1227 HydrophobicContact CE1-CG 3.76Å; Y1219-R1227 HydrophobicContact CE2-CB 3.75Å; Y1219-R1227 HydrophobicContact CG-CB 4.05Å; N1224-R1227 PolarHBondContact O-N 2.88Å; N1224-R1227 PolarHBondContact OD1-N 3.43Å; R1227-A1229 VanDerWaalsContact C-N 3.28Å; R1227-A1229 PolarHBondContact O-N 2.81Å; R1227-I1230 PolarHBondContact O-N 2.86Å; R1227-I1230 VanDerWaalsContact O-N 3.1Å; R1227-T1231 WeakPolarHBondContact O-CG2 3.48Å; R1227-T1231 PolarHBondContact O-N 3.03Å |
| 1228 | L | 80.8 | Confident | 81 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.6 | -39.9 | 175.2 | -174.8 | 66.5 | 0 | 0 | 0 | 112 | K1216 N1224 Y1225 I1230 T1231 L1232 A1244 | K1216-L1228 HydrophobicContact CG-CD1 4.35Å; N1224-L1228 WeakPolarHBondContact O-CB 3.29Å; N1224-L1228 PolarHBondContact O-N 3.35Å; Y1225-L1228 HydrophobicContact CD1-CD2 3.98Å; Y1225-L1228 HydrophobicContact CE1-CD2 4.38Å; L1228-I1230 VanDerWaalsContact C-N 3.28Å; L1228-I1230 PolarHBondContact O-N 2.94Å; L1228-T1231 WeakPolarHBondContact CA-OG1 3.28Å; L1228-T1231 PolarHBondContact O-N 3.42Å; L1228-T1231 PolarHBondContact O-OG1 2.87Å; L1228-L1232 HydrophobicContact CD1-CD1 4.34Å; L1228-L1232 HydrophobicContact CD1-CG 4.31Å; L1228-L1232 HydrophobicContact CG-CD1 3.92Å; L1228-L1232 HydrophobicContact CG-CG 4.31Å; L1228-L1232 WeakPolarHBondContact O-CB 3.45Å; L1228-L1232 WeakPolarHBondContact O-CG 3.14Å; L1228-L1232 PolarHBondContact O-N 2.68Å; L1228-A1244 HydrophobicContact CD2-CB 4.44Å; L1228-A1244 HydrophobicContact CG-CB 4.45Å |
| 1229 | A | 80.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y1225 S1226 R1227 L1232 V1233 S1241 A1244 A1245 V1257 | Y1225-A1229 WeakPolarHBondContact O-CB 3.46Å; Y1225-A1229 PolarHBondContact O-N 3.19Å; S1226-A1229 PolarHBondContact O-N 2.83Å; R1227-A1229 VanDerWaalsContact C-N 3.28Å; R1227-A1229 PolarHBondContact O-N 2.81Å; A1229-L1232 PolarHBondContact O-N 2.89Å; A1229-V1233 WeakPolarHBondContact O-CG2 3.5Å; A1229-V1233 PolarHBondContact O-N 2.76Å; A1229-S1241 WeakPolarHBondContact O-CB 3.39Å; A1229-S1241 PolarHBondContact O-OG 2.9Å; A1229-A1244 HydrophobicContact CB-CB 3.76Å; A1229-A1245 HydrophobicContact CB-CB 4.27Å; A1229-V1257 HydrophobicContact CB-CG2 3.97Å |
| 1230 | I | 79.5 | Confident | 80.9 | Confident | 26 Ų | 26 | 47.9 Ų | 47.9 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.6 | -40 | 178.6 | -50.4 | 162.7 | 0 | 0 | 0 | 110.9 | F1207 S1226 R1227 L1228 L1232 V1233 H1234 E1256 | F1207-I1230 HydrophobicContact CE1-CG2 4.4Å; F1207-I1230 HydrophobicContact CE2-CB 4.35Å; F1207-I1230 HydrophobicContact CE2-CG2 3.96Å; F1207-I1230 HydrophobicContact CZ-CB 4.19Å; F1207-I1230 HydrophobicContact CZ-CG2 3.43Å; F1207-I1230 VanDerWaalsContact CZ-CG2 3.43Å; S1226-I1230 WeakPolarHBondContact O-CG1 3.15Å; R1227-I1230 PolarHBondContact O-N 2.86Å; R1227-I1230 VanDerWaalsContact O-N 3.1Å; L1228-I1230 VanDerWaalsContact C-N 3.28Å; L1228-I1230 PolarHBondContact O-N 2.94Å; I1230-L1232 VanDerWaalsContact C-N 3.32Å; I1230-L1232 PolarHBondContact O-N 3.5Å; I1230-V1233 WeakPolarHBondContact O-CB 3.34Å; I1230-V1233 PolarHBondContact O-N 2.81Å; I1230-H1234 PolarHBondContact O-CD2 2.74Å; I1230-H1234 PolarHBondContact O-N 3.33Å; I1230-H1234 VanDerWaalsContact O-N 3.09Å; I1230-E1256 WeakPolarHBondContact CD1-OE2 3.21Å; I1230-E1256 WeakPolarHBondContact CG1-OE2 3.41Å |
| 1231 | T | 80.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 177 | 69.5 | 0 | 0 | 0 | 0 | 111.8 | F1207 A1215 Y1219 R1227 L1228 V1233 H1234 L1235 | F1207-T1231 HydrophobicContact CD2-CG2 3.23Å; F1207-T1231 HydrophobicContact CE2-CG2 3.62Å; F1207-T1231 HydrophobicContact CG-CG2 4.23Å; A1215-T1231 HydrophobicContact CB-CG2 4.2Å; Y1219-T1231 HydrophobicContact CD2-CG2 3.34Å; Y1219-T1231 HydrophobicContact CE2-CG2 3.33Å; R1227-T1231 WeakPolarHBondContact O-CG2 3.48Å; R1227-T1231 PolarHBondContact O-N 3.03Å; L1228-T1231 WeakPolarHBondContact CA-OG1 3.28Å; L1228-T1231 PolarHBondContact O-N 3.42Å; L1228-T1231 PolarHBondContact O-OG1 2.87Å; T1231-V1233 VanDerWaalsContact C-N 3.32Å; T1231-V1233 PolarHBondContact O-N 3Å; T1231-H1234 PolarHBondContact O-N 2.82Å; T1231-L1235 WeakPolarHBondContact O-CG 3.41Å; T1231-L1235 PolarHBondContact O-N 3.06Å |
| 1232 | L | 81.9 | Confident | 81 | Confident | 12 Ų | 12 | 40.7 Ų | 40.7 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.4 | -34.2 | 175.3 | -68.5 | 171.9 | 0 | 0 | 0 | 112 | K1216 L1228 A1229 I1230 H1234 L1235 G1236 E1237 G1240 A1244 | K1216-L1232 HydrophobicContact CD-CD2 4.02Å; K1216-L1232 HydrophobicContact CG-CD2 4.4Å; L1228-L1232 HydrophobicContact CD1-CD1 4.34Å; L1228-L1232 HydrophobicContact CD1-CG 4.31Å; L1228-L1232 HydrophobicContact CG-CD1 3.92Å; L1228-L1232 HydrophobicContact CG-CG 4.31Å; L1228-L1232 WeakPolarHBondContact O-CB 3.45Å; L1228-L1232 WeakPolarHBondContact O-CG 3.14Å; L1228-L1232 PolarHBondContact O-N 2.68Å; A1229-L1232 PolarHBondContact O-N 2.89Å; I1230-L1232 VanDerWaalsContact C-N 3.32Å; I1230-L1232 PolarHBondContact O-N 3.5Å; L1232-H1234 VanDerWaalsContact C-N 3.34Å; L1232-L1235 HydrophobicContact CD2-CD1 4.5Å; L1232-L1235 PolarHBondContact O-N 3.24Å; L1232-G1236 PolarHBondContact O-N 3.24Å; L1232-E1237 HydrophobicContact CB-CB 4.38Å; L1232-E1237 HydrophobicContact CD2-CB 4.13Å; L1232-E1237 VanDerWaalsContact CD2-OE2 3.24Å; L1232-E1237 WeakPolarHBondContact CD2-OE2 3.39Å; L1232-E1237 PolarHBondContact O-N 3.26Å; L1232-G1240 VanDerWaalsContact CD1-C 3.49Å; L1232-G1240 WeakPolarHBondContact CD1-O 3.25Å; L1232-A1244 HydrophobicContact CD1-CB 4.15Å |
| 1233 | V | 80.1 | Confident | 81.1 | Confident | 14 Ų | 14 | 41.3 Ų | 41.3 | 9% | 0.085 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.5 | -49.4 | 169.6 | 166.8 | 0 | 0 | 0 | 0 | 110.4 | A1229 I1230 T1231 L1235 G1236 S1241 V1257 A1260 | A1229-V1233 WeakPolarHBondContact O-CG2 3.5Å; A1229-V1233 PolarHBondContact O-N 2.76Å; I1230-V1233 WeakPolarHBondContact O-CB 3.34Å; I1230-V1233 PolarHBondContact O-N 2.81Å; T1231-V1233 VanDerWaalsContact C-N 3.32Å; T1231-V1233 PolarHBondContact O-N 3Å; V1233-L1235 VanDerWaalsContact C-N 3.27Å; V1233-L1235 PolarHBondContact O-N 2.98Å; V1233-G1236 PolarHBondContact O-N 3.16Å; V1233-S1241 WeakPolarHBondContact CG2-OG 3.31Å; V1233-V1257 HydrophobicContact CG2-CG1 4.47Å; V1233-V1257 HydrophobicContact CG2-CG2 4.07Å; V1233-A1260 HydrophobicContact CB-CB 4.31Å; V1233-A1260 HydrophobicContact CG1-CB 3.26Å; V1233-A1260 HydrophobicContact CG2-CB 4.02Å |
| 1234 | H | 76.2 | Confident | 81.2 | Confident | 99 Ų | 99 | 38.5 Ų | 38.5 | 46% | 0.458 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.5 | -25.7 | -178.3 | -76.7 | -72.5 | 0 | 0 | 0 | 113.6 | F1207 Y1212 I1230 T1231 L1232 G1236 | F1207-H1234 AromaticContact CE2-CD2 3.61Å; F1207-H1234 AromaticContact CZ-CD2 3.55Å; F1207-H1234 AromaticContact CZ-NE2 3.74Å; Y1212-H1234 HydrophobicContact CD1-CB 3.73Å; Y1212-H1234 HydrophobicContact CD2-CB 3.9Å; Y1212-H1234 HydrophobicContact CE1-CB 3.47Å; Y1212-H1234 VanDerWaalsContact CE1-CB 3.47Å; Y1212-H1234 AromaticContact CE1-CD2 3.9Å; Y1212-H1234 AromaticContact CE1-CG 3.62Å; Y1212-H1234 HydrophobicContact CE2-CB 3.66Å; Y1212-H1234 HydrophobicContact CG-CB 3.93Å; Y1212-H1234 VanDerWaalsContact CZ-CB 3.42Å; Y1212-H1234 AromaticContact CZ-CG 3.55Å; Y1212-H1234 AromaticContact CZ-ND1 3.81Å; Y1212-H1234 PolarHBondContact OH-ND1 3.37Å; I1230-H1234 PolarHBondContact O-CD2 2.74Å; I1230-H1234 PolarHBondContact O-N 3.33Å; I1230-H1234 VanDerWaalsContact O-N 3.09Å; T1231-H1234 PolarHBondContact O-N 2.82Å; L1232-H1234 VanDerWaalsContact C-N 3.34Å; H1234-G1236 VanDerWaalsContact C-N 3.26Å |
| 1235 | L | 81.3 | Confident | 81.3 | Confident | 48 Ų | 48 | 36.3 Ų | 36.3 | 25% | 0.251 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -5.8 | 170.7 | -72.1 | 169.6 | 0 | 0 | 0 | 113.6 | E1213 K1216 T1231 L1232 V1233 E1237 | E1213-L1235 HydrophobicContact CG-CD2 4.15Å; K1216-L1235 HydrophobicContact CB-CD1 4.08Å; K1216-L1235 HydrophobicContact CD-CD1 3.73Å; K1216-L1235 HydrophobicContact CG-CD1 4.46Å; T1231-L1235 WeakPolarHBondContact O-CG 3.41Å; T1231-L1235 PolarHBondContact O-N 3.06Å; L1232-L1235 HydrophobicContact CD2-CD1 4.5Å; L1232-L1235 PolarHBondContact O-N 3.24Å; V1233-L1235 VanDerWaalsContact C-N 3.27Å; V1233-L1235 PolarHBondContact O-N 2.98Å; L1235-E1237 VanDerWaalsContact C-N 3.27Å; L1235-E1237 HydrophobicContact CB-CG 4.5Å; L1235-E1237 PolarHBondContact O-N 2.84Å |
| 1236 | G | 78 | Confident | 81.3 | Confident | 37 Ų | 37 | 38.6 Ų | 38.6 | 38% | 0.381 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 10.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1232 V1233 H1234 Y1238 | L1232-G1236 PolarHBondContact O-N 3.24Å; V1233-G1236 PolarHBondContact O-N 3.16Å; H1234-G1236 VanDerWaalsContact C-N 3.26Å; G1236-Y1238 VanDerWaalsContact C-N 3.34Å; G1236-Y1238 WeakPolarHBondContact O-CD2 3.16Å; G1236-Y1238 PolarHBondContact O-N 3.25Å; G1236-Y1238 VanDerWaalsContact O-N 3.17Å |
| 1237 | E | 81.7 | Confident | 81.4 | Confident | 78 Ų | 78 | 43.2 Ų | 43.2 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | trans | -88.2 | 65.3 | 177.7 | -68.9 | -174.5 | -168.8 | 0 | 0 | 111 | K1216 L1232 L1235 Q1239 G1240 S1241 | K1216-E1237 IonicContact NZ-OE1 3.24Å; K1216-E1237 PolarHBondContact NZ-OE1 2.92Å; K1216-E1237 IonicContact NZ-OE2 2.83Å; K1216-E1237 PolarHBondContact NZ-OE2 3.16Å; L1232-E1237 HydrophobicContact CB-CB 4.38Å; L1232-E1237 HydrophobicContact CD2-CB 4.13Å; L1232-E1237 VanDerWaalsContact CD2-OE2 3.24Å; L1232-E1237 WeakPolarHBondContact CD2-OE2 3.39Å; L1232-E1237 PolarHBondContact O-N 3.26Å; L1235-E1237 VanDerWaalsContact C-N 3.27Å; L1235-E1237 HydrophobicContact CB-CG 4.5Å; L1235-E1237 PolarHBondContact O-N 2.84Å; E1237-Q1239 PolarHBondContact O-N 3.44Å; E1237-G1240 PolarHBondContact O-N 3.31Å; E1237-G1240 VanDerWaalsContact O-N 3.17Å; E1237-S1241 PolarHBondContact O-N 2.68Å | ||
| 1238 | Y | 79.7 | Confident | 81.4 | Confident | 39 Ų | 39 | 40.9 Ų | 40.9 | 15% | 0.153 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.2 | -38.8 | -172.4 | -54.8 | -65.7 | 0 | 0 | 0 | 114 | G1236 G1240 S1241 V1242 H1264 E1266 | G1236-Y1238 VanDerWaalsContact C-N 3.34Å; G1236-Y1238 WeakPolarHBondContact O-CD2 3.16Å; G1236-Y1238 PolarHBondContact O-N 3.25Å; G1236-Y1238 VanDerWaalsContact O-N 3.17Å; Y1238-G1240 PolarHBondContact O-N 2.88Å; Y1238-S1241 WeakPolarHBondContact O-CB 3.28Å; Y1238-S1241 PolarHBondContact O-N 2.7Å; Y1238-V1242 WeakPolarHBondContact O-CG2 3.37Å; Y1238-V1242 PolarHBondContact O-N 3.42Å; Y1238-H1264 HydrophobicContact CE1-CB 4.12Å; Y1238-H1264 AromaticContact CE1-CD2 3.53Å; Y1238-H1264 AromaticContact CE1-CG 3.95Å; Y1238-H1264 HydrophobicContact CE2-CB 4.2Å; Y1238-H1264 AromaticContact CZ-CD2 3.57Å; Y1238-H1264 AromaticContact CZ-CG 3.55Å; Y1238-H1264 WeakPolarHBondContact OH-CB 3.42Å; Y1238-H1264 PolarHBondContact OH-CD2 3.11Å; Y1238-H1264 PolarHBondContact OH-CE1 3.37Å; Y1238-H1264 VanDerWaalsContact OH-CE1 3.29Å; Y1238-H1264 PolarHBondContact OH-ND1 3.04Å; Y1238-H1264 VanDerWaalsContact OH-ND1 3.11Å; Y1238-H1264 PolarHBondContact OH-NE2 2.91Å; Y1238-E1266 HydrophobicContact CD2-CG 3.86Å; Y1238-E1266 HydrophobicContact CE2-CG 4.31Å; Y1238-E1266 HydrophobicContact CG-CG 4.32Å |
| 1239 | Q | 82 | Confident | 81.5 | Confident | 106 Ų | 106 | 46.1 Ų | 46.1 | 50% | 0.495 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 177 | -177.1 | 61 | 49.3 | 0 | 0 | 111.5 | E1237 S1241 V1242 D1243 | E1237-Q1239 PolarHBondContact O-N 3.44Å; Q1239-S1241 VanDerWaalsContact C-N 3.29Å; Q1239-S1241 PolarHBondContact O-N 2.84Å; Q1239-V1242 PolarHBondContact O-N 2.99Å; Q1239-D1243 PolarHBondContact NE2-OD2 2.64Å; Q1239-D1243 PolarHBondContact O-N 3.07Å; Q1239-D1243 VanDerWaalsContact O-N 3.11Å |
| 1240 | G | 83.7 | Confident | 81.6 | Confident | 26 Ų | 26 | 48.4 Ų | 48.4 | 27% | 0.268 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.2 | -36.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L1232 E1237 Y1238 D1243 A1244 | L1232-G1240 VanDerWaalsContact CD1-C 3.49Å; L1232-G1240 WeakPolarHBondContact CD1-O 3.25Å; E1237-G1240 PolarHBondContact O-N 3.31Å; E1237-G1240 VanDerWaalsContact O-N 3.17Å; Y1238-G1240 PolarHBondContact O-N 2.88Å; G1240-D1243 PolarHBondContact O-N 3.2Å; G1240-A1244 WeakPolarHBondContact O-CB 3.43Å; G1240-A1244 PolarHBondContact O-N 3.04Å |
| 1241 | S | 83.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 174.6 | -177.2 | 0 | 0 | 0 | 0 | 112.6 | A1229 V1233 E1237 Y1238 Q1239 D1243 A1244 A1245 V1257 | A1229-S1241 WeakPolarHBondContact O-CB 3.39Å; A1229-S1241 PolarHBondContact O-OG 2.9Å; V1233-S1241 WeakPolarHBondContact CG2-OG 3.31Å; E1237-S1241 PolarHBondContact O-N 2.68Å; Y1238-S1241 WeakPolarHBondContact O-CB 3.28Å; Y1238-S1241 PolarHBondContact O-N 2.7Å; Q1239-S1241 VanDerWaalsContact C-N 3.29Å; Q1239-S1241 PolarHBondContact O-N 2.84Å; S1241-D1243 VanDerWaalsContact C-N 3.35Å; S1241-D1243 PolarHBondContact O-N 3.19Å; S1241-A1244 PolarHBondContact O-N 3.08Å; S1241-A1245 WeakPolarHBondContact O-CB 3.39Å; S1241-A1245 PolarHBondContact O-N 3.46Å; S1241-V1257 WeakPolarHBondContact OG-CG1 3.42Å; S1241-V1257 VanDerWaalsContact OG-CG2 3.26Å; S1241-V1257 WeakPolarHBondContact OG-CG2 3.5Å |
| 1242 | V | 81.8 | Confident | 81.8 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 175.6 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | Y1238 Q1239 A1244 A1245 R1246 W1254 V1257 L1269 | Y1238-V1242 WeakPolarHBondContact O-CG2 3.37Å; Y1238-V1242 PolarHBondContact O-N 3.42Å; Q1239-V1242 PolarHBondContact O-N 2.99Å; V1242-A1244 VanDerWaalsContact C-N 3.33Å; V1242-A1244 PolarHBondContact O-N 3.27Å; V1242-A1245 PolarHBondContact O-N 3.11Å; V1242-R1246 WeakPolarHBondContact O-CB 3.33Å; V1242-R1246 PolarHBondContact O-N 3.45Å; V1242-W1254 HydrophobicContact CG1-CH2 4.47Å; V1242-W1254 HydrophobicContact CG1-CZ3 4.2Å; V1242-V1257 HydrophobicContact CG2-CG1 4.11Å; V1242-L1269 HydrophobicContact CG2-CB 4.06Å; V1242-L1269 HydrophobicContact CG2-CD1 4.49Å; V1242-L1269 HydrophobicContact CG2-CD2 4.21Å; V1242-L1269 HydrophobicContact CG2-CG 4.48Å |
| 1243 | D | 83.8 | Confident | 81.9 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 32% | 0.316 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.4 | -33.8 | 177.9 | -70.4 | -40 | 0 | 0 | 0 | 112.1 | Q1239 G1240 S1241 R1246 K1247 | Q1239-D1243 PolarHBondContact NE2-OD2 2.64Å; Q1239-D1243 PolarHBondContact O-N 3.07Å; Q1239-D1243 VanDerWaalsContact O-N 3.11Å; G1240-D1243 PolarHBondContact O-N 3.2Å; S1241-D1243 VanDerWaalsContact C-N 3.35Å; S1241-D1243 PolarHBondContact O-N 3.19Å; D1243-R1246 IonicContact OD1-CZ 3.98Å; D1243-R1246 IonicContact OD1-NH1 3.84Å; D1243-R1246 PolarHBondContact OD1-NH1 3.33Å; D1243-K1247 WeakPolarHBondContact O-CG 2.96Å; D1243-K1247 PolarHBondContact O-N 2.68Å |
| 1244 | A | 83.7 | Confident | 82.2 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.1 | -42.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | L1228 A1229 L1232 G1240 S1241 V1242 R1246 K1247 A1248 | L1228-A1244 HydrophobicContact CD2-CB 4.44Å; L1228-A1244 HydrophobicContact CG-CB 4.45Å; A1229-A1244 HydrophobicContact CB-CB 3.76Å; L1232-A1244 HydrophobicContact CD1-CB 4.15Å; G1240-A1244 WeakPolarHBondContact O-CB 3.43Å; G1240-A1244 PolarHBondContact O-N 3.04Å; S1241-A1244 PolarHBondContact O-N 3.08Å; V1242-A1244 VanDerWaalsContact C-N 3.33Å; V1242-A1244 PolarHBondContact O-N 3.27Å; A1244-R1246 VanDerWaalsContact C-N 3.28Å; A1244-R1246 PolarHBondContact O-N 2.92Å; A1244-K1247 WeakPolarHBondContact O-CB 3.39Å; A1244-K1247 PolarHBondContact O-N 2.9Å; A1244-K1247 VanDerWaalsContact O-N 3.07Å; A1244-A1248 PolarHBondContact O-N 3.5Å |
| 1245 | A | 83.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1229 S1241 V1242 K1247 A1248 N1249 W1254 V1257 | A1229-A1245 HydrophobicContact CB-CB 4.27Å; S1241-A1245 WeakPolarHBondContact O-CB 3.39Å; S1241-A1245 PolarHBondContact O-N 3.46Å; V1242-A1245 PolarHBondContact O-N 3.11Å; A1245-K1247 VanDerWaalsContact C-N 3.32Å; A1245-K1247 PolarHBondContact O-N 3.27Å; A1245-A1248 PolarHBondContact O-N 3.49Å; A1245-N1249 PolarHBondContact O-N 2.91Å; A1245-W1254 HydrophobicContact CB-CD2 4.09Å; A1245-W1254 HydrophobicContact CB-CE3 3.75Å; A1245-W1254 HydrophobicContact CB-CH2 4.21Å; A1245-W1254 HydrophobicContact CB-CZ3 3.81Å; A1245-V1257 HydrophobicContact CB-CG2 4.12Å |
| 1246 | R | 83 | Confident | 82.7 | Confident | 125 Ų | 125 | 54.6 Ų | 54.6 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 173.3 | -168 | -175.4 | -69.5 | 137.7 | 0.8 | 112.4 | V1242 D1243 A1244 W1254 | V1242-R1246 WeakPolarHBondContact O-CB 3.33Å; V1242-R1246 PolarHBondContact O-N 3.45Å; D1243-R1246 IonicContact OD1-CZ 3.98Å; D1243-R1246 IonicContact OD1-NH1 3.84Å; D1243-R1246 PolarHBondContact OD1-NH1 3.33Å; A1244-R1246 VanDerWaalsContact C-N 3.28Å; A1244-R1246 PolarHBondContact O-N 2.92Å; R1246-W1254 VanDerWaalsContact CA-CZ2 3.45Å; R1246-W1254 HydrophobicContact CB-CH2 3.88Å; R1246-W1254 HydrophobicContact CB-CZ2 3.94Å; R1246-W1254 HydrophobicContact CG-CZ2 4.35Å |
| 1247 | K | 82.3 | Confident | 83.1 | Confident | 136 Ų | 136 | 52.9 Ų | 52.9 | 59% | 0.591 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -71.3 | -32.5 | 175.7 | -70.2 | 177 | -176.1 | 179.8 | 0 | 112.8 | Y1225 D1243 A1244 A1245 | Y1225-K1247 HydrophobicContact CD1-CB 4.04Å; Y1225-K1247 HydrophobicContact CD1-CD 3.86Å; Y1225-K1247 HydrophobicContact CD2-CB 3.72Å; Y1225-K1247 HydrophobicContact CD2-CD 4.47Å; Y1225-K1247 HydrophobicContact CE1-CD 3.66Å; Y1225-K1247 HydrophobicContact CE2-CB 4.19Å; Y1225-K1247 HydrophobicContact CE2-CD 4.26Å; Y1225-K1247 HydrophobicContact CG-CB 3.64Å; Y1225-K1247 HydrophobicContact CG-CD 4.28Å; D1243-K1247 WeakPolarHBondContact O-CG 2.96Å; D1243-K1247 PolarHBondContact O-N 2.68Å; A1244-K1247 WeakPolarHBondContact O-CB 3.39Å; A1244-K1247 PolarHBondContact O-N 2.9Å; A1244-K1247 VanDerWaalsContact O-N 3.07Å; A1245-K1247 VanDerWaalsContact C-N 3.32Å; A1245-K1247 PolarHBondContact O-N 3.27Å |
| 1248 | A | 80.9 | Confident | 83.3 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 26% | 0.256 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -74.1 | -33.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1244 A1245 S1250 T1253 | A1244-A1248 PolarHBondContact O-N 3.5Å; A1245-A1248 PolarHBondContact O-N 3.49Å; A1248-S1250 PolarHBondContact O-N 3.38Å; A1248-S1250 VanDerWaalsContact O-N 3.11Å; A1248-T1253 HydrophobicContact CB-CG2 4.24Å |
| 1249 | N | 82.8 | Confident | 83.6 | Confident | 127 Ų | 127 | 48.6 Ų | 48.6 | 68% | 0.679 | 24% | 0.238 | S | C | * | . | trans | 48.7 | 36.2 | 179.6 | -164 | 39.3 | 0 | 0 | 0 | 114.2 | A1245 | A1245-N1249 PolarHBondContact O-N 2.91Š| ||
| 1250 | S | 82.2 | Confident | 83.7 | Confident | 48 Ų | 48 | 44.1 Ų | 44.1 | 34% | 0.336 | 22% | 0.22 | S | C | . | . | trans | -108.3 | 133.3 | 177.5 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | A1248 R1252 T1253 W1254 | A1248-S1250 PolarHBondContact O-N 3.38Å; A1248-S1250 VanDerWaalsContact O-N 3.11Å; S1250-R1252 PolarHBondContact O-N 2.79Å; S1250-R1252 PolarHBondContact OG-N 2.99Å; S1250-T1253 WeakPolarHBondContact CB-OG1 3.34Å; S1250-T1253 PolarHBondContact N-OG1 3.34Å; S1250-T1253 PolarHBondContact O-N 3.48Å; S1250-T1253 VanDerWaalsContact O-N 3.08Å; S1250-T1253 PolarHBondContact O-OG1 3.38Å; S1250-W1254 VanDerWaalsContact O-CD1 3.29Å; S1250-W1254 PolarHBondContact O-N 3.11Å | ||
| 1251 | T | 83.2 | Confident | 83.8 | Confident | 39 Ų | 39 | 42.9 Ų | 42.9 | 24% | 0.239 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.8 | -38.1 | 178.7 | -47.4 | 0 | 0 | 0 | 0 | 111.5 | T1253 W1254 K1255 H1280 E1283 | T1251-T1253 PolarHBondContact O-N 2.98Å; T1251-W1254 PolarHBondContact O-N 3.46Å; T1251-K1255 WeakPolarHBondContact O-CB 3.44Å; T1251-K1255 PolarHBondContact O-N 3.45Å; T1251-H1280 PolarHBondContact OG1-NE2 3.41Å; T1251-E1283 HydrophobicContact CG2-CG 3.92Å |
| 1252 | R | 82 | Confident | 83.8 | Confident | 179 Ų | 179 | 42.9 Ų | 42.9 | 68% | 0.675 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -60.3 | -44.6 | 175.5 | -177.9 | 177.9 | 175.1 | 171.1 | 2.3 | 112 | S1250 K1255 E1256 | S1250-R1252 PolarHBondContact O-N 2.79Å; S1250-R1252 PolarHBondContact OG-N 2.99Å; R1252-K1255 PolarHBondContact O-N 3.5Å; R1252-E1256 WeakPolarHBondContact CG-OE1 3.17Å; R1252-E1256 IonicContact CZ-OE1 2.97Å; R1252-E1256 IonicContact NE-OE1 3.54Å; R1252-E1256 PolarHBondContact NE-OE1 2.67Å; R1252-E1256 IonicContact NH2-OE1 3.63Å; R1252-E1256 WeakPolarHBondContact O-CG 3.45Å; R1252-E1256 PolarHBondContact O-N 3.44Å |
| 1253 | T | 83.5 | Confident | 83.9 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.8 | -41.2 | 179.1 | 51 | 0 | 0 | 0 | 0 | 111.9 | S1226 A1248 S1250 T1251 K1255 E1256 V1257 | S1226-T1253 VanDerWaalsContact CA-CG2 3.49Å; A1248-T1253 HydrophobicContact CB-CG2 4.24Å; S1250-T1253 WeakPolarHBondContact CB-OG1 3.34Å; S1250-T1253 PolarHBondContact N-OG1 3.34Å; S1250-T1253 PolarHBondContact O-N 3.48Å; S1250-T1253 VanDerWaalsContact O-N 3.08Å; S1250-T1253 PolarHBondContact O-OG1 3.38Å; T1251-T1253 PolarHBondContact O-N 2.98Å; T1253-K1255 VanDerWaalsContact C-N 3.31Å; T1253-K1255 PolarHBondContact O-N 3.29Å; T1253-E1256 PolarHBondContact O-N 2.79Å; T1253-V1257 WeakPolarHBondContact O-CB 3.18Å; T1253-V1257 VanDerWaalsContact O-CG2 3.25Å; T1253-V1257 WeakPolarHBondContact O-CG2 3.38Å; T1253-V1257 PolarHBondContact O-N 2.7Å |
| 1254 | W | 87.5 | Confident | 83.8 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 2% | 0.023 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.1 | -42.4 | 174.4 | -75.1 | 121.4 | 0 | 0 | 0 | 111.5 | V1242 A1245 R1246 S1250 T1251 C1258 C1273 H1276 I1277 | V1242-W1254 HydrophobicContact CG1-CH2 4.47Å; V1242-W1254 HydrophobicContact CG1-CZ3 4.2Å; A1245-W1254 HydrophobicContact CB-CD2 4.09Å; A1245-W1254 HydrophobicContact CB-CE3 3.75Å; A1245-W1254 HydrophobicContact CB-CH2 4.21Å; A1245-W1254 HydrophobicContact CB-CZ3 3.81Å; R1246-W1254 VanDerWaalsContact CA-CZ2 3.45Å; R1246-W1254 HydrophobicContact CB-CH2 3.88Å; R1246-W1254 HydrophobicContact CB-CZ2 3.94Å; R1246-W1254 HydrophobicContact CG-CZ2 4.35Å; S1250-W1254 VanDerWaalsContact O-CD1 3.29Å; S1250-W1254 PolarHBondContact O-N 3.11Å; T1251-W1254 PolarHBondContact O-N 3.46Å; W1254-C1258 WeakPolarHBondContact O-CB 3.39Å; W1254-C1258 PolarHBondContact O-N 3.17Å; W1254-C1273 HydrophobicContact CE3-CB 3.76Å; W1254-C1273 HydrophobicContact CZ3-CB 4.19Å; W1254-C1273 VanDerWaalsContact CZ3-SG 3.57Å; W1254-H1276 HydrophobicContact CD2-CB 4.08Å; W1254-H1276 AromaticContact CE2-CD2 3.81Å; W1254-H1276 AromaticContact CE2-CG 3.93Å; W1254-H1276 HydrophobicContact CG-CB 4Å; W1254-H1276 AromaticContact CH2-CD2 3.79Å; W1254-H1276 AromaticContact CZ2-CD2 3.55Å; W1254-H1276 AromaticContact CZ2-NE2 3.88Å; W1254-I1277 HydrophobicContact CB-CD1 4.36Å; W1254-I1277 HydrophobicContact CB-CG1 3.9Å |
| 1255 | K | 85 | Confident | 83.7 | Confident | 36 Ų | 36 | 55.5 Ų | 55.5 | 16% | 0.157 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 177.4 | -170.7 | 176.3 | -176.1 | 173.5 | 0 | 112.2 | T1251 R1252 T1253 C1258 F1259 I1277 E1283 D1286 | T1251-K1255 WeakPolarHBondContact O-CB 3.44Å; T1251-K1255 PolarHBondContact O-N 3.45Å; R1252-K1255 PolarHBondContact O-N 3.5Å; T1253-K1255 VanDerWaalsContact C-N 3.31Å; T1253-K1255 PolarHBondContact O-N 3.29Å; K1255-C1258 PolarHBondContact O-N 3.12Å; K1255-F1259 HydrophobicContact CD-CE2 4.17Å; K1255-F1259 HydrophobicContact CD-CZ 4.26Å; K1255-F1259 HydrophobicContact CG-CD2 4.09Å; K1255-F1259 HydrophobicContact CG-CE1 4.16Å; K1255-F1259 HydrophobicContact CG-CE2 3.63Å; K1255-F1259 HydrophobicContact CG-CZ 3.68Å; K1255-F1259 VanDerWaalsContact O-CB 3.29Å; K1255-F1259 WeakPolarHBondContact O-CB 3.1Å; K1255-F1259 WeakPolarHBondContact O-CD1 3.17Å; K1255-F1259 WeakPolarHBondContact O-CG 3.24Å; K1255-F1259 PolarHBondContact O-N 3.37Å; K1255-I1277 HydrophobicContact CB-CD1 4.23Å; K1255-E1283 WeakPolarHBondContact CD-OE2 3.39Å; K1255-E1283 WeakPolarHBondContact CE-OE2 3.34Å; K1255-E1283 IonicContact NZ-OE2 3.4Å; K1255-E1283 PolarHBondContact NZ-OE2 2.99Å; K1255-D1286 IonicContact NZ-OD2 3.9Å; K1255-D1286 PolarHBondContact NZ-OD2 3.31Å |
| 1256 | E | 83.5 | Confident | 83.8 | Confident | 63 Ų | 63 | 59.5 Ų | 59.5 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 179.6 | -70.3 | 172 | -170.6 | 0 | 0 | 111.8 | I1230 R1252 T1253 F1259 A1260 | I1230-E1256 WeakPolarHBondContact CD1-OE2 3.21Å; I1230-E1256 WeakPolarHBondContact CG1-OE2 3.41Å; R1252-E1256 WeakPolarHBondContact CG-OE1 3.17Å; R1252-E1256 IonicContact CZ-OE1 2.97Å; R1252-E1256 IonicContact NE-OE1 3.54Å; R1252-E1256 PolarHBondContact NE-OE1 2.67Å; R1252-E1256 IonicContact NH2-OE1 3.63Å; R1252-E1256 WeakPolarHBondContact O-CG 3.45Å; R1252-E1256 PolarHBondContact O-N 3.44Å; T1253-E1256 PolarHBondContact O-N 2.79Å; E1256-F1259 PolarHBondContact O-N 2.98Å; E1256-A1260 WeakPolarHBondContact O-CB 3.32Å; E1256-A1260 PolarHBondContact O-N 2.97Å |
| 1257 | V | 84.8 | Confident | 83.9 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 177.1 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | A1229 V1233 S1241 V1242 A1245 T1253 A1260 C1261 | A1229-V1257 HydrophobicContact CB-CG2 3.97Å; V1233-V1257 HydrophobicContact CG2-CG1 4.47Å; V1233-V1257 HydrophobicContact CG2-CG2 4.07Å; S1241-V1257 WeakPolarHBondContact OG-CG1 3.42Å; S1241-V1257 VanDerWaalsContact OG-CG2 3.26Å; S1241-V1257 WeakPolarHBondContact OG-CG2 3.5Å; V1242-V1257 HydrophobicContact CG2-CG1 4.11Å; A1245-V1257 HydrophobicContact CB-CG2 4.12Å; T1253-V1257 WeakPolarHBondContact O-CB 3.18Å; T1253-V1257 VanDerWaalsContact O-CG2 3.25Å; T1253-V1257 WeakPolarHBondContact O-CG2 3.38Å; T1253-V1257 PolarHBondContact O-N 2.7Å; V1257-A1260 PolarHBondContact O-N 3.23Å; V1257-C1261 WeakPolarHBondContact O-CB 3.47Å; V1257-C1261 PolarHBondContact O-N 2.94Å; V1257-C1261 PolarHBondContact O-SG 2.89Å |
| 1258 | C | 85.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.7 | -51.6 | 175.1 | -172.7 | 0 | 0 | 0 | 0 | 110.5 | W1254 K1255 A1260 C1261 V1262 A1270 C1273 I1277 | W1254-C1258 WeakPolarHBondContact O-CB 3.39Å; W1254-C1258 PolarHBondContact O-N 3.17Å; K1255-C1258 PolarHBondContact O-N 3.12Å; C1258-A1260 VanDerWaalsContact C-N 3.31Å; C1258-A1260 PolarHBondContact O-N 3.42Å; C1258-C1261 PolarHBondContact O-N 3.46Å; C1258-C1261 VanDerWaalsContact O-N 3.17Å; C1258-V1262 VanDerWaalsContact O-CG2 3.3Å; C1258-V1262 WeakPolarHBondContact O-CG2 3.47Å; C1258-V1262 PolarHBondContact O-N 2.9Å; C1258-A1270 PolarHBondContact SG-O 2.89Å; C1258-A1270 VanDerWaalsContact SG-O 3.41Å; C1258-C1273 HydrophobicContact CB-CB 3.62Å; C1258-I1277 HydrophobicContact CB-CD1 3.56Å |
| 1259 | F | 87.6 | Confident | 84.1 | Confident | 28 Ų | 28 | 59.8 Ų | 59.8 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -39.6 | -179.3 | -75.6 | 2 | 0 | 0 | 0 | 112.4 | K1255 E1256 V1262 N1263 L1287 Y1290 | K1255-F1259 HydrophobicContact CD-CE2 4.17Å; K1255-F1259 HydrophobicContact CD-CZ 4.26Å; K1255-F1259 HydrophobicContact CG-CD2 4.09Å; K1255-F1259 HydrophobicContact CG-CE1 4.16Å; K1255-F1259 HydrophobicContact CG-CE2 3.63Å; K1255-F1259 HydrophobicContact CG-CZ 3.68Å; K1255-F1259 VanDerWaalsContact O-CB 3.29Å; K1255-F1259 WeakPolarHBondContact O-CB 3.1Å; K1255-F1259 WeakPolarHBondContact O-CD1 3.17Å; K1255-F1259 WeakPolarHBondContact O-CG 3.24Å; K1255-F1259 PolarHBondContact O-N 3.37Å; E1256-F1259 PolarHBondContact O-N 2.98Å; F1259-V1262 PolarHBondContact O-N 2.86Å; F1259-N1263 VanDerWaalsContact O-CG 3.29Å; F1259-N1263 PolarHBondContact O-N 3.14Å; F1259-N1263 PolarHBondContact O-ND2 3.33Å; F1259-L1287 HydrophobicContact CD1-CD1 4.38Å; F1259-L1287 HydrophobicContact CE1-CD1 3.7Å; F1259-Y1290 HydrophobicContact CB-CD1 4.1Å; F1259-Y1290 HydrophobicContact CB-CE1 3.48Å; F1259-Y1290 VanDerWaalsContact CB-CE1 3.48Å; F1259-Y1290 HydrophobicContact CB-CE2 4.06Å; F1259-Y1290 VanDerWaalsContact CB-CZ 3.44Å; F1259-Y1290 AromaticContact CD1-CD1 3.36Å; F1259-Y1290 HydrophobicContact CD1-CD1 3.36Å; F1259-Y1290 HydrophobicContact CD1-CD2 4.05Å; F1259-Y1290 AromaticContact CD1-CE1 3.72Å; F1259-Y1290 HydrophobicContact CD1-CE1 3.72Å; F1259-Y1290 HydrophobicContact CD1-CE2 4.34Å; F1259-Y1290 AromaticContact CD1-CG 3.54Å; F1259-Y1290 HydrophobicContact CD1-CG 3.54Å; F1259-Y1290 HydrophobicContact CD2-CD1 4.26Å; F1259-Y1290 AromaticContact CD2-CD2 3.56Å; F1259-Y1290 HydrophobicContact CD2-CD2 3.56Å; F1259-Y1290 HydrophobicContact CD2-CE1 4.2Å; F1259-Y1290 AromaticContact CD2-CE2 3.47Å; F1259-Y1290 HydrophobicContact CD2-CE2 3.47Å; F1259-Y1290 VanDerWaalsContact CD2-CE2 3.47Å; F1259-Y1290 AromaticContact CD2-CG 3.95Å; F1259-Y1290 HydrophobicContact CD2-CG 3.95Å; F1259-Y1290 AromaticContact CD2-CZ 3.8Å; F1259-Y1290 VanDerWaalsContact CE1-CB 3.48Å; F1259-Y1290 AromaticContact CE1-CD1 3.75Å; F1259-Y1290 HydrophobicContact CE1-CD1 3.75Å; F1259-Y1290 HydrophobicContact CE1-CD2 4.02Å; F1259-Y1290 HydrophobicContact CE1-CE1 4.48Å; F1259-Y1290 AromaticContact CE1-CG 3.46Å; F1259-Y1290 HydrophobicContact CE1-CG 3.46Å; F1259-Y1290 VanDerWaalsContact CE1-CG 3.46Å; F1259-Y1290 AromaticContact CE2-CD2 3.51Å; F1259-Y1290 HydrophobicContact CE2-CD2 3.51Å; F1259-Y1290 AromaticContact CE2-CE2 3.9Å; F1259-Y1290 HydrophobicContact CE2-CE2 3.9Å; F1259-Y1290 AromaticContact CE2-CG 3.88Å; F1259-Y1290 HydrophobicContact CE2-CG 3.88Å; F1259-Y1290 AromaticContact CG-CD1 3.65Å; F1259-Y1290 HydrophobicContact CG-CD1 3.65Å; F1259-Y1290 AromaticContact CG-CD2 3.83Å; F1259-Y1290 HydrophobicContact CG-CD2 3.83Å; F1259-Y1290 AromaticContact CG-CE1 3.54Å; F1259-Y1290 HydrophobicContact CG-CE1 3.54Å; F1259-Y1290 AromaticContact CG-CE2 3.71Å; F1259-Y1290 HydrophobicContact CG-CE2 3.71Å; F1259-Y1290 AromaticContact CG-CG 3.78Å; F1259-Y1290 HydrophobicContact CG-CG 3.78Å; F1259-Y1290 AromaticContact CG-CZ 3.54Å; F1259-Y1290 HydrophobicContact CZ-CD1 4.34Å; F1259-Y1290 AromaticContact CZ-CD2 3.75Å; F1259-Y1290 HydrophobicContact CZ-CD2 3.75Å; F1259-Y1290 HydrophobicContact CZ-CE2 4.5Å; F1259-Y1290 AromaticContact CZ-CG 3.64Å; F1259-Y1290 HydrophobicContact CZ-CG 3.64Å |
| 1260 | A | 83.4 | Confident | 84.2 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.6 | -45.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1233 E1256 V1257 C1258 V1262 N1263 H1264 | V1233-A1260 HydrophobicContact CB-CB 4.31Å; V1233-A1260 HydrophobicContact CG1-CB 3.26Å; V1233-A1260 HydrophobicContact CG2-CB 4.02Å; E1256-A1260 WeakPolarHBondContact O-CB 3.32Å; E1256-A1260 PolarHBondContact O-N 2.97Å; V1257-A1260 PolarHBondContact O-N 3.23Å; C1258-A1260 VanDerWaalsContact C-N 3.31Å; C1258-A1260 PolarHBondContact O-N 3.42Å; A1260-V1262 PolarHBondContact O-N 3.04Å; A1260-N1263 PolarHBondContact O-N 3.09Å; A1260-N1263 VanDerWaalsContact O-N 3.17Å; A1260-H1264 PolarHBondContact O-CD2 3.17Å; A1260-H1264 PolarHBondContact O-N 3.3Å |
| 1261 | C | 84.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.1 | -38 | 175.8 | -67.2 | 0 | 0 | 0 | 0 | 111.4 | V1257 C1258 H1264 K1265 E1266 A1270 | V1257-C1261 WeakPolarHBondContact O-CB 3.47Å; V1257-C1261 PolarHBondContact O-N 2.94Å; V1257-C1261 PolarHBondContact O-SG 2.89Å; C1258-C1261 PolarHBondContact O-N 3.46Å; C1258-C1261 VanDerWaalsContact O-N 3.17Å; C1261-H1264 CarbonylContact O-C 3.53Å; C1261-H1264 PolarHBondContact O-N 2.91Å; C1261-K1265 PolarHBondContact O-N 3.47Å; C1261-K1265 VanDerWaalsContact O-N 3.08Å; C1261-E1266 HydrophobicContact CB-CB 4.24Å; C1261-E1266 PolarHBondContact O-N 3.2Å; C1261-A1270 HydrophobicContact CB-CB 3.72Å |
| 1262 | V | 85 | Confident | 84.6 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.4 | -48.5 | 174.1 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | C1258 F1259 A1260 H1264 K1265 A1270 Y1290 Y1291 | C1258-V1262 VanDerWaalsContact O-CG2 3.3Å; C1258-V1262 WeakPolarHBondContact O-CG2 3.47Å; C1258-V1262 PolarHBondContact O-N 2.9Å; F1259-V1262 PolarHBondContact O-N 2.86Å; A1260-V1262 PolarHBondContact O-N 3.04Å; V1262-H1264 PolarHBondContact O-N 3.29Å; V1262-K1265 PolarHBondContact O-N 3.42Å; V1262-A1270 HydrophobicContact CG2-CB 3.82Å; V1262-Y1290 HydrophobicContact CB-CE1 4.38Å; V1262-Y1290 HydrophobicContact CG1-CD1 4.48Å; V1262-Y1290 HydrophobicContact CG1-CE1 4.42Å; V1262-Y1291 HydrophobicContact CG1-CE1 4.45Å; V1262-Y1291 HydrophobicContact CG2-CD1 4.41Å; V1262-Y1291 HydrophobicContact CG2-CD2 4.3Å; V1262-Y1291 HydrophobicContact CG2-CE1 3.72Å; V1262-Y1291 HydrophobicContact CG2-CE2 3.58Å; V1262-Y1291 VanDerWaalsContact CG2-OH 3.3Å; V1262-Y1291 WeakPolarHBondContact CG2-OH 3.35Å |
| 1263 | N | 83.8 | Confident | 84.8 | Confident | 79 Ų | 79 | 48.1 Ų | 48.1 | 42% | 0.422 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.2 | -34 | 178.3 | -70.3 | -32.9 | 0 | 0 | 0 | 112.7 | F1259 A1260 Y1290 R1294 | F1259-N1263 VanDerWaalsContact O-CG 3.29Å; F1259-N1263 PolarHBondContact O-N 3.14Å; F1259-N1263 PolarHBondContact O-ND2 3.33Å; A1260-N1263 PolarHBondContact O-N 3.09Å; A1260-N1263 VanDerWaalsContact O-N 3.17Å; N1263-Y1290 PolarHBondContact ND2-OH 3.26Å; N1263-Y1290 PolarHBondContact OD1-OH 2.71Å; N1263-R1294 PolarHBondContact OD1-NE 3.25Å |
| 1264 | H | 82 | Confident | 85 | Confident | 103 Ų | 103 | 47.9 Ų | 47.9 | 48% | 0.477 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 8.1 | -179.5 | -66.4 | -71.9 | 0 | 0 | 0 | 113.9 | Y1238 A1260 C1261 V1262 E1266 | Y1238-H1264 HydrophobicContact CE1-CB 4.12Å; Y1238-H1264 AromaticContact CE1-CD2 3.53Å; Y1238-H1264 AromaticContact CE1-CG 3.95Å; Y1238-H1264 HydrophobicContact CE2-CB 4.2Å; Y1238-H1264 AromaticContact CZ-CD2 3.57Å; Y1238-H1264 AromaticContact CZ-CG 3.55Å; Y1238-H1264 WeakPolarHBondContact OH-CB 3.42Å; Y1238-H1264 PolarHBondContact OH-CD2 3.11Å; Y1238-H1264 PolarHBondContact OH-CE1 3.37Å; Y1238-H1264 VanDerWaalsContact OH-CE1 3.29Å; Y1238-H1264 PolarHBondContact OH-ND1 3.04Å; Y1238-H1264 VanDerWaalsContact OH-ND1 3.11Å; Y1238-H1264 PolarHBondContact OH-NE2 2.91Å; A1260-H1264 PolarHBondContact O-CD2 3.17Å; A1260-H1264 PolarHBondContact O-N 3.3Å; C1261-H1264 CarbonylContact O-C 3.53Å; C1261-H1264 PolarHBondContact O-N 2.91Å; V1262-H1264 PolarHBondContact O-N 3.29Å; H1264-E1266 PolarHBondContact O-N 2.83Å |
| 1265 | K | 81.6 | Confident | 85 | Confident | 148 Ų | 148 | 49.4 Ų | 49.4 | 64% | 0.643 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 23 | 178.7 | -55 | -178.1 | 178.6 | -177.2 | 0 | 114.9 | C1261 V1262 F1267 | C1261-K1265 PolarHBondContact O-N 3.47Å; C1261-K1265 VanDerWaalsContact O-N 3.08Å; V1262-K1265 PolarHBondContact O-N 3.42Å; K1265-F1267 VanDerWaalsContact C-N 3.26Å; K1265-F1267 HydrophobicContact CB-CE2 3.81Å; K1265-F1267 HydrophobicContact CB-CZ 3.99Å; K1265-F1267 HydrophobicContact CG-CE2 4.32Å; K1265-F1267 HydrophobicContact CG-CZ 4.12Å; K1265-F1267 WeakPolarHBondContact O-CD2 3.45Å; K1265-F1267 PolarHBondContact O-N 2.81Å; K1265-F1267 VanDerWaalsContact O-N 3.09Å |
| 1266 | E | 84.5 | Confident | 85 | Confident | 84 Ų | 84 | 51.5 Ų | 51.5 | 39% | 0.393 | 24% | 0.235 | S | C | . | . | trans | -85.6 | 64.7 | 173.6 | -74 | -65.7 | 168.2 | 0 | 0 | 110.5 | Y1238 C1261 H1264 R1268 L1269 A1270 | Y1238-E1266 HydrophobicContact CD2-CG 3.86Å; Y1238-E1266 HydrophobicContact CE2-CG 4.31Å; Y1238-E1266 HydrophobicContact CG-CG 4.32Å; C1261-E1266 HydrophobicContact CB-CB 4.24Å; C1261-E1266 PolarHBondContact O-N 3.2Å; H1264-E1266 PolarHBondContact O-N 2.83Å; E1266-R1268 VanDerWaalsContact C-N 3.3Å; E1266-R1268 PolarHBondContact O-N 2.82Å; E1266-L1269 PolarHBondContact O-N 2.8Å; E1266-A1270 WeakPolarHBondContact O-CB 3.24Å; E1266-A1270 PolarHBondContact O-N 3.43Å | ||
| 1267 | F | 85.1 | Confident | 85.2 | Confident | 55 Ų | 55 | 48.5 Ų | 48.5 | 24% | 0.241 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.2 | -29.5 | -168.8 | -60 | -64.9 | 0 | 0 | 0 | 114.3 | K1265 A1270 Q1271 H1296 E1299 | K1265-F1267 VanDerWaalsContact C-N 3.26Å; K1265-F1267 HydrophobicContact CB-CE2 3.81Å; K1265-F1267 HydrophobicContact CB-CZ 3.99Å; K1265-F1267 HydrophobicContact CG-CE2 4.32Å; K1265-F1267 HydrophobicContact CG-CZ 4.12Å; K1265-F1267 WeakPolarHBondContact O-CD2 3.45Å; K1265-F1267 PolarHBondContact O-N 2.81Å; K1265-F1267 VanDerWaalsContact O-N 3.09Å; F1267-A1270 PolarHBondContact O-N 2.77Å; F1267-Q1271 WeakPolarHBondContact O-CB 3.5Å; F1267-Q1271 PolarHBondContact O-N 3.31Å; F1267-H1296 HydrophobicContact CE1-CB 4.36Å; F1267-H1296 AromaticContact CE1-CG 3.82Å; F1267-H1296 AromaticContact CE1-ND1 3.81Å; F1267-H1296 AromaticContact CZ-CE1 3.57Å; F1267-H1296 AromaticContact CZ-ND1 3.54Å; F1267-E1299 HydrophobicContact CB-CG 4.24Å; F1267-E1299 HydrophobicContact CD1-CB 4.02Å; F1267-E1299 HydrophobicContact CD1-CG 3.68Å; F1267-E1299 HydrophobicContact CD2-CG 4.18Å; F1267-E1299 HydrophobicContact CE1-CB 4.45Å; F1267-E1299 HydrophobicContact CE1-CG 4.02Å; F1267-E1299 HydrophobicContact CE2-CG 4.47Å; F1267-E1299 HydrophobicContact CG-CB 4.46Å; F1267-E1299 HydrophobicContact CG-CG 3.77Å; F1267-E1299 HydrophobicContact CZ-CG 4.4Å |
| 1268 | R | 83.6 | Confident | 85.4 | Confident | 217 Ų | 217 | 48.5 Ų | 48.5 | 82% | 0.819 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -65.3 | -41.9 | 177 | -172.4 | 180 | -177.8 | -179.8 | 1.3 | 111.7 | E1266 M1272 | E1266-R1268 VanDerWaalsContact C-N 3.3Å; E1266-R1268 PolarHBondContact O-N 2.82Å; R1268-M1272 PolarHBondContact O-N 2.87Å |
| 1269 | L | 84.1 | Confident | 85.4 | Confident | 25 Ų | 25 | 49.5 Ų | 49.5 | 13% | 0.131 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.4 | -39.6 | 175.8 | -63.4 | -178.9 | 0 | 0 | 0 | 110.6 | V1242 E1266 Q1271 M1272 C1273 | V1242-L1269 HydrophobicContact CG2-CB 4.06Å; V1242-L1269 HydrophobicContact CG2-CD1 4.49Å; V1242-L1269 HydrophobicContact CG2-CD2 4.21Å; V1242-L1269 HydrophobicContact CG2-CG 4.48Å; E1266-L1269 PolarHBondContact O-N 2.8Å; L1269-Q1271 VanDerWaalsContact C-N 3.32Å; L1269-Q1271 PolarHBondContact O-N 2.74Å; L1269-M1272 WeakPolarHBondContact O-CB 3.49Å; L1269-M1272 PolarHBondContact O-N 2.87Å; L1269-C1273 PolarHBondContact O-N 2.85Å; L1269-C1273 PolarHBondContact O-SG 3.28Å |
| 1270 | A | 86.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59 | -41.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1258 C1261 V1262 E1266 F1267 C1273 G1274 Y1291 | C1258-A1270 PolarHBondContact SG-O 2.89Å; C1258-A1270 VanDerWaalsContact SG-O 3.41Å; C1261-A1270 HydrophobicContact CB-CB 3.72Å; V1262-A1270 HydrophobicContact CG2-CB 3.82Å; E1266-A1270 WeakPolarHBondContact O-CB 3.24Å; E1266-A1270 PolarHBondContact O-N 3.43Å; F1267-A1270 PolarHBondContact O-N 2.77Å; A1270-C1273 PolarHBondContact O-N 3.41Å; A1270-G1274 WeakPolarHBondContact O-CA 3.41Å; A1270-G1274 PolarHBondContact O-N 2.71Å; A1270-Y1291 WeakPolarHBondContact CB-OH 3.27Å |
| 1271 | Q | 87.2 | Confident | 85.3 | Confident | 62 Ų | 62 | 53.5 Ų | 53.5 | 29% | 0.29 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 176.8 | -169.9 | -177.6 | 33.9 | 0 | 0 | 111.3 | F1267 L1269 C1273 G1274 L1275 Q1302 L1303 | F1267-Q1271 WeakPolarHBondContact O-CB 3.5Å; F1267-Q1271 PolarHBondContact O-N 3.31Å; L1269-Q1271 VanDerWaalsContact C-N 3.32Å; L1269-Q1271 PolarHBondContact O-N 2.74Å; Q1271-C1273 VanDerWaalsContact C-N 3.33Å; Q1271-C1273 PolarHBondContact O-N 2.85Å; Q1271-G1274 PolarHBondContact O-N 2.8Å; Q1271-L1275 WeakPolarHBondContact O-CG 3.41Å; Q1271-L1275 PolarHBondContact O-N 2.81Å; Q1271-Q1302 PolarHBondContact NE2-O 3.05Å; Q1271-L1303 HydrophobicContact CG-CD1 4.11Å |
| 1272 | M | 85.1 | Confident | 85.3 | Confident | 87 Ų | 87 | 60.9 Ų | 60.9 | 43% | 0.429 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.7 | -45 | 176.2 | -170.4 | 69.6 | 65 | 0 | 0 | 111.5 | R1268 L1269 H1276 | R1268-M1272 PolarHBondContact O-N 2.87Å; L1269-M1272 WeakPolarHBondContact O-CB 3.49Å; L1269-M1272 PolarHBondContact O-N 2.87Å; M1272-H1276 PolarHBondContact O-CD2 3.06Å; M1272-H1276 VanDerWaalsContact O-CD2 3.31Å |
| 1273 | C | 86 | Confident | 85.3 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.5 | -44 | 175.8 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | W1254 C1258 L1269 A1270 Q1271 L1275 H1276 I1277 | W1254-C1273 HydrophobicContact CE3-CB 3.76Å; W1254-C1273 HydrophobicContact CZ3-CB 4.19Å; W1254-C1273 VanDerWaalsContact CZ3-SG 3.57Å; C1258-C1273 HydrophobicContact CB-CB 3.62Å; L1269-C1273 PolarHBondContact O-N 2.85Å; L1269-C1273 PolarHBondContact O-SG 3.28Å; A1270-C1273 PolarHBondContact O-N 3.41Å; Q1271-C1273 VanDerWaalsContact C-N 3.33Å; Q1271-C1273 PolarHBondContact O-N 2.85Å; C1273-L1275 VanDerWaalsContact C-N 3.3Å; C1273-L1275 PolarHBondContact O-N 3.3Å; C1273-H1276 WeakPolarHBondContact O-CB 3.38Å; C1273-H1276 PolarHBondContact O-N 2.8Å; C1273-H1276 VanDerWaalsContact O-N 3.08Å; C1273-I1277 WeakPolarHBondContact O-CG1 3.47Å; C1273-I1277 PolarHBondContact O-N 2.92Å |
| 1274 | G | 87.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58 | -39.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1270 Q1271 H1276 I1277 V1278 L1303 | A1270-G1274 WeakPolarHBondContact O-CA 3.41Å; A1270-G1274 PolarHBondContact O-N 2.71Å; Q1271-G1274 PolarHBondContact O-N 2.8Å; G1274-H1276 PolarHBondContact O-N 2.89Å; G1274-I1277 WeakPolarHBondContact O-CA 2.96Å; G1274-I1277 PolarHBondContact O-N 2.88Å; G1274-V1278 WeakPolarHBondContact O-CG1 3.19Å; G1274-V1278 PolarHBondContact O-N 2.79Å; G1274-L1303 VanDerWaalsContact C-CD1 3.49Å |
| 1275 | L | 88 | Confident | 85.8 | Confident | 38 Ų | 38 | 56.6 Ų | 56.6 | 20% | 0.199 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.1 | -29.6 | 177.8 | -73.5 | 173.8 | 0 | 0 | 0 | 112.8 | Q1271 C1273 V1279 L1303 A1306 L1310 | Q1271-L1275 WeakPolarHBondContact O-CG 3.41Å; Q1271-L1275 PolarHBondContact O-N 2.81Å; C1273-L1275 VanDerWaalsContact C-N 3.3Å; C1273-L1275 PolarHBondContact O-N 3.3Å; L1275-V1279 WeakPolarHBondContact O-CG2 3.5Å; L1275-L1303 HydrophobicContact CD2-CD1 4.05Å; L1275-L1303 HydrophobicContact CG-CD1 4Å; L1275-A1306 HydrophobicContact CD2-CB 3.91Å; L1275-L1310 HydrophobicContact CB-CD1 4.41Å; L1275-L1310 HydrophobicContact CD2-CD1 4.05Å |
| 1276 | H | 85.1 | Confident | 86 | Confident | 80 Ų | 80 | 53.5 Ų | 53.5 | 37% | 0.37 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -78.1 | -20.7 | 173.4 | -71.1 | -69.1 | 0 | 0 | 0 | 113.1 | W1254 M1272 C1273 G1274 H1280 | W1254-H1276 HydrophobicContact CD2-CB 4.08Å; W1254-H1276 AromaticContact CE2-CD2 3.81Å; W1254-H1276 AromaticContact CE2-CG 3.93Å; W1254-H1276 HydrophobicContact CG-CB 4Å; W1254-H1276 AromaticContact CH2-CD2 3.79Å; W1254-H1276 AromaticContact CZ2-CD2 3.55Å; W1254-H1276 AromaticContact CZ2-NE2 3.88Å; M1272-H1276 PolarHBondContact O-CD2 3.06Å; M1272-H1276 VanDerWaalsContact O-CD2 3.31Å; C1273-H1276 WeakPolarHBondContact O-CB 3.38Å; C1273-H1276 PolarHBondContact O-N 2.8Å; C1273-H1276 VanDerWaalsContact O-N 3.08Å; G1274-H1276 PolarHBondContact O-N 2.89Å; H1276-H1280 PolarHBondContact O-CD2 2.77Å |
| 1277 | I | 88 | Confident | 86.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -89.5 | -47.6 | -179.7 | -56.9 | 163.4 | 0 | 0 | 0 | 111 | W1254 K1255 C1258 C1273 G1274 V1279 H1280 E1283 L1287 | W1254-I1277 HydrophobicContact CB-CD1 4.36Å; W1254-I1277 HydrophobicContact CB-CG1 3.9Å; K1255-I1277 HydrophobicContact CB-CD1 4.23Å; C1258-I1277 HydrophobicContact CB-CD1 3.56Å; C1273-I1277 WeakPolarHBondContact O-CG1 3.47Å; C1273-I1277 PolarHBondContact O-N 2.92Å; G1274-I1277 WeakPolarHBondContact O-CA 2.96Å; G1274-I1277 PolarHBondContact O-N 2.88Å; I1277-V1279 PolarHBondContact O-N 2.61Å; I1277-H1280 WeakPolarHBondContact O-CB 3.19Å; I1277-H1280 PolarHBondContact O-N 2.89Å; I1277-E1283 HydrophobicContact CG2-CB 3.8Å; I1277-L1287 HydrophobicContact CB-CD2 4.07Å; I1277-L1287 HydrophobicContact CD1-CD1 4.27Å; I1277-L1287 HydrophobicContact CG2-CB 4.42Å; I1277-L1287 HydrophobicContact CG2-CD2 3.92Å |
| 1278 | V | 89.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -19.6 | -174.2 | -64.7 | 0 | 0 | 0 | 0 | 113.8 | G1274 H1280 L1284 L1287 L1303 L1304 H1314 M1317 | G1274-V1278 WeakPolarHBondContact O-CG1 3.19Å; G1274-V1278 PolarHBondContact O-N 2.79Å; V1278-H1280 PolarHBondContact O-N 2.96Å; V1278-L1284 HydrophobicContact CB-CD1 4.28Å; V1278-L1284 HydrophobicContact CG1-CD1 4.14Å; V1278-L1287 HydrophobicContact CG1-CD2 3.46Å; V1278-L1287 VanDerWaalsContact CG1-CD2 3.46Å; V1278-L1303 HydrophobicContact CG1-CD1 4.42Å; V1278-L1303 HydrophobicContact CG1-CD2 4.17Å; V1278-L1303 HydrophobicContact CG1-CG 4.12Å; V1278-L1304 HydrophobicContact CB-CD2 4.45Å; V1278-L1304 HydrophobicContact CG1-CD2 3.86Å; V1278-H1314 PolarHBondContact O-CE1 3.1Å; V1278-M1317 HydrophobicContact CB-CE 3.97Å; V1278-M1317 HydrophobicContact CB-SD 4.47Å; V1278-M1317 HydrophobicContact CG2-CE 3.65Å; V1278-M1317 HydrophobicContact CG2-SD 4.48Å |
| 1279 | V | 86.5 | Confident | 86.6 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -22.6 | 175.1 | 175.6 | 0 | 0 | 0 | 0 | 112 | L1275 I1277 L1310 R1312 H1314 | L1275-V1279 WeakPolarHBondContact O-CG2 3.5Å; I1277-V1279 PolarHBondContact O-N 2.61Å; V1279-L1310 HydrophobicContact CG2-CD1 3.67Å; V1279-R1312 HydrophobicContact CG1-CB 3.41Å; V1279-R1312 VanDerWaalsContact CG1-CB 3.41Å; V1279-R1312 HydrophobicContact CG1-CG 4.25Å; V1279-R1312 HydrophobicContact CG2-CB 4.42Å; V1279-H1314 PolarHBondContact O-ND1 3.4Å |
| 1280 | H | 86.2 | Confident | 86.8 | Confident | 67 Ų | 67 | 41.5 Ų | 41.5 | 31% | 0.31 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -94.3 | 108.7 | 177.1 | -62.8 | -83.8 | 0 | 0 | 0 | 110.5 | T1251 H1276 I1277 V1278 D1282 E1283 L1284 | T1251-H1280 PolarHBondContact OG1-NE2 3.41Å; H1276-H1280 PolarHBondContact O-CD2 2.77Å; I1277-H1280 WeakPolarHBondContact O-CB 3.19Å; I1277-H1280 PolarHBondContact O-N 2.89Å; V1278-H1280 PolarHBondContact O-N 2.96Å; H1280-D1282 VanDerWaalsContact C-N 3.28Å; H1280-D1282 PolarHBondContact O-N 3.47Å; H1280-E1283 HydrophobicContact CB-CB 4.3Å; H1280-E1283 HydrophobicContact CB-CG 4.23Å; H1280-E1283 PolarHBondContact O-N 2.9Å; H1280-E1283 VanDerWaalsContact O-N 3.14Å; H1280-L1284 PolarHBondContact O-N 2.98Å |
| 1281 | A | 81.5 | Confident | 87 | Confident | 56 Ų | 56 | 41.6 Ų | 41.6 | 46% | 0.463 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.6 | -38.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | E1283 L1284 H1314 | A1281-E1283 VanDerWaalsContact C-N 3.26Å; A1281-E1283 PolarHBondContact O-N 3.31Å; A1281-L1284 WeakPolarHBondContact O-CB 3.4Å; A1281-L1284 PolarHBondContact O-N 3.39Å; A1281-H1314 VanDerWaalsContact CA-NE2 3.32Å; A1281-H1314 WeakPolarHBondContact CA-NE2 3.36Å; A1281-H1314 VanDerWaalsContact CB-NE2 3.33Å; A1281-H1314 WeakPolarHBondContact CB-NE2 3.4Å |
| 1282 | D | 84 | Confident | 86.9 | Confident | 156 Ų | 156 | 40.7 Ų | 40.7 | 83% | 0.834 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -68.4 | -25.8 | -177.2 | -53.9 | -32.4 | 0 | 0 | 0 | 112.8 | H1280 | H1280-D1282 VanDerWaalsContact C-N 3.28Å; H1280-D1282 PolarHBondContact O-N 3.47Å |
| 1283 | E | 86.4 | Confident | 87 | Confident | 54 Ų | 54 | 44 Ų | 44 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -94.4 | -13.8 | -178.1 | -62.7 | -68.6 | 172.3 | 0 | 0 | 112.7 | T1251 K1255 I1277 H1280 A1281 G1285 D1286 L1287 | T1251-E1283 HydrophobicContact CG2-CG 3.92Å; K1255-E1283 WeakPolarHBondContact CD-OE2 3.39Å; K1255-E1283 WeakPolarHBondContact CE-OE2 3.34Å; K1255-E1283 IonicContact NZ-OE2 3.4Å; K1255-E1283 PolarHBondContact NZ-OE2 2.99Å; I1277-E1283 HydrophobicContact CG2-CB 3.8Å; H1280-E1283 HydrophobicContact CB-CB 4.3Å; H1280-E1283 HydrophobicContact CB-CG 4.23Å; H1280-E1283 PolarHBondContact O-N 2.9Å; H1280-E1283 VanDerWaalsContact O-N 3.14Å; A1281-E1283 VanDerWaalsContact C-N 3.26Å; A1281-E1283 PolarHBondContact O-N 3.31Å; E1283-G1285 PolarHBondContact O-N 3.49Å; E1283-D1286 PolarHBondContact O-N 3.43Å; E1283-L1287 WeakPolarHBondContact O-CB 3.41Å; E1283-L1287 PolarHBondContact O-N 3.5Å |
| 1284 | L | 88.5 | Confident | 86.9 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.9 | -43.6 | -175.7 | -179 | 63.4 | 0 | 0 | 0 | 111.7 | V1278 H1280 A1281 L1287 I1288 L1304 G1316 M1317 E1320 | V1278-L1284 HydrophobicContact CB-CD1 4.28Å; V1278-L1284 HydrophobicContact CG1-CD1 4.14Å; H1280-L1284 PolarHBondContact O-N 2.98Å; A1281-L1284 WeakPolarHBondContact O-CB 3.4Å; A1281-L1284 PolarHBondContact O-N 3.39Å; L1284-L1287 PolarHBondContact O-N 3.21Å; L1284-I1288 HydrophobicContact CD1-CD1 3.96Å; L1284-I1288 HydrophobicContact CD1-CG1 4.38Å; L1284-I1288 HydrophobicContact CG-CD1 3.78Å; L1284-I1288 WeakPolarHBondContact O-CD1 3.42Å; L1284-I1288 VanDerWaalsContact O-CG1 3.29Å; L1284-I1288 WeakPolarHBondContact O-CG1 3.08Å; L1284-I1288 PolarHBondContact O-N 3.45Å; L1284-L1304 HydrophobicContact CD1-CD2 3.79Å; L1284-G1316 VanDerWaalsContact CD2-C 3.43Å; L1284-M1317 HydrophobicContact CD2-CG 4.18Å; L1284-E1320 HydrophobicContact CD2-CB 4.41Å; L1284-E1320 HydrophobicContact CD2-CG 3.91Å; L1284-E1320 HydrophobicContact CG-CG 4.36Å |
| 1285 | G | 86.7 | Confident | 86.8 | Confident | 33 Ų | 33 | 50.2 Ų | 50.2 | 34% | 0.34 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1283 I1288 N1289 | E1283-G1285 PolarHBondContact O-N 3.49Å; G1285-I1288 PolarHBondContact O-N 3.19Å; G1285-N1289 WeakPolarHBondContact O-CB 3.37Å; G1285-N1289 VanDerWaalsContact O-CG 3.24Å; G1285-N1289 PolarHBondContact O-N 2.91Å; G1285-N1289 PolarHBondContact O-ND2 3.04Å |
| 1286 | D | 86.1 | Confident | 86.8 | Confident | 83 Ų | 83 | 50.1 Ų | 50.1 | 44% | 0.444 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 177.5 | -80.4 | 3.9 | 0 | 0 | 0 | 112 | K1255 E1283 Y1290 | K1255-D1286 IonicContact NZ-OD2 3.9Å; K1255-D1286 PolarHBondContact NZ-OD2 3.31Å; E1283-D1286 PolarHBondContact O-N 3.43Å; D1286-Y1290 WeakPolarHBondContact O-CB 3.32Å; D1286-Y1290 PolarHBondContact O-N 3.15Å |
| 1287 | L | 89.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 177.4 | -179.3 | 64.8 | 0 | 0 | 0 | 111.7 | F1259 I1277 V1278 E1283 L1284 Y1290 Y1291 L1303 | F1259-L1287 HydrophobicContact CD1-CD1 4.38Å; F1259-L1287 HydrophobicContact CE1-CD1 3.7Å; I1277-L1287 HydrophobicContact CB-CD2 4.07Å; I1277-L1287 HydrophobicContact CD1-CD1 4.27Å; I1277-L1287 HydrophobicContact CG2-CB 4.42Å; I1277-L1287 HydrophobicContact CG2-CD2 3.92Å; V1278-L1287 HydrophobicContact CG1-CD2 3.46Å; V1278-L1287 VanDerWaalsContact CG1-CD2 3.46Å; E1283-L1287 WeakPolarHBondContact O-CB 3.41Å; E1283-L1287 PolarHBondContact O-N 3.5Å; L1284-L1287 PolarHBondContact O-N 3.21Å; L1287-Y1290 WeakPolarHBondContact O-CB 3.49Å; L1287-Y1290 PolarHBondContact O-N 3.29Å; L1287-Y1291 HydrophobicContact CD1-CD2 4Å; L1287-Y1291 HydrophobicContact CD1-CE2 3.7Å; L1287-Y1291 HydrophobicContact CG-CD2 4.43Å; L1287-Y1291 HydrophobicContact CG-CE2 4.41Å; L1287-Y1291 WeakPolarHBondContact O-CD2 3.44Å; L1287-Y1291 PolarHBondContact O-N 3.16Å; L1287-L1303 HydrophobicContact CD2-CD2 4.01Å |
| 1288 | I | 88.8 | Confident | 86.9 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.1 | -51.6 | 177.2 | -71.9 | 162 | 0 | 0 | 0 | 110.4 | L1284 G1285 Y1290 Y1291 E1292 L1300 E1320 | L1284-I1288 HydrophobicContact CD1-CD1 3.96Å; L1284-I1288 HydrophobicContact CD1-CG1 4.38Å; L1284-I1288 HydrophobicContact CG-CD1 3.78Å; L1284-I1288 WeakPolarHBondContact O-CD1 3.42Å; L1284-I1288 VanDerWaalsContact O-CG1 3.29Å; L1284-I1288 WeakPolarHBondContact O-CG1 3.08Å; L1284-I1288 PolarHBondContact O-N 3.45Å; G1285-I1288 PolarHBondContact O-N 3.19Å; I1288-Y1290 PolarHBondContact O-N 3.46Å; I1288-Y1291 PolarHBondContact O-N 3.02Å; I1288-E1292 HydrophobicContact CG2-CG 4.15Å; I1288-E1292 WeakPolarHBondContact O-CB 3.28Å; I1288-E1292 PolarHBondContact O-N 2.96Å; I1288-L1300 HydrophobicContact CB-CD2 4.34Å; I1288-L1300 HydrophobicContact CG1-CD1 4.18Å; I1288-L1300 HydrophobicContact CG1-CD2 4.32Å; I1288-L1300 HydrophobicContact CG2-CD2 4.05Å; I1288-E1320 HydrophobicContact CD1-CB 3.42Å; I1288-E1320 VanDerWaalsContact CD1-CB 3.42Å; I1288-E1320 HydrophobicContact CD1-CG 3.44Å; I1288-E1320 VanDerWaalsContact CD1-CG 3.44Å |
| 1289 | N | 88.2 | Confident | 86.9 | Confident | 82 Ų | 82 | 55.7 Ų | 55.7 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.4 | -37.3 | 178.6 | -74.1 | -26.4 | 0 | 0 | 0 | 111.7 | G1285 Q1293 | G1285-N1289 WeakPolarHBondContact O-CB 3.37Å; G1285-N1289 VanDerWaalsContact O-CG 3.24Å; G1285-N1289 PolarHBondContact O-N 2.91Å; G1285-N1289 PolarHBondContact O-ND2 3.04Å; N1289-Q1293 WeakPolarHBondContact O-CB 3.12Å; N1289-Q1293 VanDerWaalsContact O-CG 3.25Å; N1289-Q1293 WeakPolarHBondContact O-CG 3.45Å; N1289-Q1293 PolarHBondContact O-N 3.45Å |
| 1290 | Y | 88.4 | Confident | 87.1 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 16% | 0.161 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.4 | -42.8 | -179.4 | -161.6 | -92.3 | 0 | 0 | 0 | 113.3 | F1259 V1262 N1263 D1286 L1287 I1288 R1294 | F1259-Y1290 HydrophobicContact CB-CD1 4.1Å; F1259-Y1290 HydrophobicContact CB-CE1 3.48Å; F1259-Y1290 VanDerWaalsContact CB-CE1 3.48Å; F1259-Y1290 HydrophobicContact CB-CE2 4.06Å; F1259-Y1290 VanDerWaalsContact CB-CZ 3.44Å; F1259-Y1290 AromaticContact CD1-CD1 3.36Å; F1259-Y1290 HydrophobicContact CD1-CD1 3.36Å; F1259-Y1290 HydrophobicContact CD1-CD2 4.05Å; F1259-Y1290 AromaticContact CD1-CE1 3.72Å; F1259-Y1290 HydrophobicContact CD1-CE1 3.72Å; F1259-Y1290 HydrophobicContact CD1-CE2 4.34Å; F1259-Y1290 AromaticContact CD1-CG 3.54Å; F1259-Y1290 HydrophobicContact CD1-CG 3.54Å; F1259-Y1290 HydrophobicContact CD2-CD1 4.26Å; F1259-Y1290 AromaticContact CD2-CD2 3.56Å; F1259-Y1290 HydrophobicContact CD2-CD2 3.56Å; F1259-Y1290 HydrophobicContact CD2-CE1 4.2Å; F1259-Y1290 AromaticContact CD2-CE2 3.47Å; F1259-Y1290 HydrophobicContact CD2-CE2 3.47Å; F1259-Y1290 VanDerWaalsContact CD2-CE2 3.47Å; F1259-Y1290 AromaticContact CD2-CG 3.95Å; F1259-Y1290 HydrophobicContact CD2-CG 3.95Å; F1259-Y1290 AromaticContact CD2-CZ 3.8Å; F1259-Y1290 VanDerWaalsContact CE1-CB 3.48Å; F1259-Y1290 AromaticContact CE1-CD1 3.75Å; F1259-Y1290 HydrophobicContact CE1-CD1 3.75Å; F1259-Y1290 HydrophobicContact CE1-CD2 4.02Å; F1259-Y1290 HydrophobicContact CE1-CE1 4.48Å; F1259-Y1290 AromaticContact CE1-CG 3.46Å; F1259-Y1290 HydrophobicContact CE1-CG 3.46Å; F1259-Y1290 VanDerWaalsContact CE1-CG 3.46Å; F1259-Y1290 AromaticContact CE2-CD2 3.51Å; F1259-Y1290 HydrophobicContact CE2-CD2 3.51Å; F1259-Y1290 AromaticContact CE2-CE2 3.9Å; F1259-Y1290 HydrophobicContact CE2-CE2 3.9Å; F1259-Y1290 AromaticContact CE2-CG 3.88Å; F1259-Y1290 HydrophobicContact CE2-CG 3.88Å; F1259-Y1290 AromaticContact CG-CD1 3.65Å; F1259-Y1290 HydrophobicContact CG-CD1 3.65Å; F1259-Y1290 AromaticContact CG-CD2 3.83Å; F1259-Y1290 HydrophobicContact CG-CD2 3.83Å; F1259-Y1290 AromaticContact CG-CE1 3.54Å; F1259-Y1290 HydrophobicContact CG-CE1 3.54Å; F1259-Y1290 AromaticContact CG-CE2 3.71Å; F1259-Y1290 HydrophobicContact CG-CE2 3.71Å; F1259-Y1290 AromaticContact CG-CG 3.78Å; F1259-Y1290 HydrophobicContact CG-CG 3.78Å; F1259-Y1290 AromaticContact CG-CZ 3.54Å; F1259-Y1290 HydrophobicContact CZ-CD1 4.34Å; F1259-Y1290 AromaticContact CZ-CD2 3.75Å; F1259-Y1290 HydrophobicContact CZ-CD2 3.75Å; F1259-Y1290 HydrophobicContact CZ-CE2 4.5Å; F1259-Y1290 AromaticContact CZ-CG 3.64Å; F1259-Y1290 HydrophobicContact CZ-CG 3.64Å; V1262-Y1290 HydrophobicContact CB-CE1 4.38Å; V1262-Y1290 HydrophobicContact CG1-CD1 4.48Å; V1262-Y1290 HydrophobicContact CG1-CE1 4.42Å; N1263-Y1290 PolarHBondContact ND2-OH 3.26Å; N1263-Y1290 PolarHBondContact OD1-OH 2.71Å; D1286-Y1290 WeakPolarHBondContact O-CB 3.32Å; D1286-Y1290 PolarHBondContact O-N 3.15Å; L1287-Y1290 WeakPolarHBondContact O-CB 3.49Å; L1287-Y1290 PolarHBondContact O-N 3.29Å; I1288-Y1290 PolarHBondContact O-N 3.46Å; Y1290-R1294 VanDerWaalsContact CE2-CZ 3.46Å; Y1290-R1294 VanDerWaalsContact CE2-NH1 3.33Å; Y1290-R1294 WeakPolarHBondContact O-CD 3.48Å; Y1290-R1294 PolarHBondContact O-NH1 3.39Å; Y1290-R1294 VanDerWaalsContact O-NH1 3.08Å; Y1290-R1294 PolarHBondContact OH-NH2 2.81Å; Y1290-R1294 VanDerWaalsContact OH-NH2 3.09Å |
| 1291 | Y | 89.8 | Confident | 87.3 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.8 | -44.2 | 175 | -87.8 | -100.2 | 0 | 0 | 0 | 111.5 | V1262 A1270 L1287 I1288 Q1293 R1294 G1295 H1296 E1299 L1300 L1303 | V1262-Y1291 HydrophobicContact CG1-CE1 4.45Å; V1262-Y1291 HydrophobicContact CG2-CD1 4.41Å; V1262-Y1291 HydrophobicContact CG2-CD2 4.3Å; V1262-Y1291 HydrophobicContact CG2-CE1 3.72Å; V1262-Y1291 HydrophobicContact CG2-CE2 3.58Å; V1262-Y1291 VanDerWaalsContact CG2-OH 3.3Å; V1262-Y1291 WeakPolarHBondContact CG2-OH 3.35Å; A1270-Y1291 WeakPolarHBondContact CB-OH 3.27Å; L1287-Y1291 HydrophobicContact CD1-CD2 4Å; L1287-Y1291 HydrophobicContact CD1-CE2 3.7Å; L1287-Y1291 HydrophobicContact CG-CD2 4.43Å; L1287-Y1291 HydrophobicContact CG-CE2 4.41Å; L1287-Y1291 WeakPolarHBondContact O-CD2 3.44Å; L1287-Y1291 PolarHBondContact O-N 3.16Å; I1288-Y1291 PolarHBondContact O-N 3.02Å; Y1291-Q1293 PolarHBondContact O-N 3.23Å; Y1291-R1294 PolarHBondContact O-N 2.98Å; Y1291-G1295 PolarHBondContact O-N 3.03Å; Y1291-H1296 HydrophobicContact CD1-CB 3.85Å; Y1291-H1296 WeakPolarHBondContact CD1-O 3.48Å; Y1291-H1296 PolarHBondContact O-N 3.5Å; Y1291-H1296 VanDerWaalsContact O-N 3.17Å; Y1291-E1299 HydrophobicContact CE1-CB 4.09Å; Y1291-L1300 HydrophobicContact CD1-CB 3.93Å; Y1291-L1300 HydrophobicContact CD2-CD1 4.17Å; Y1291-L1300 HydrophobicContact CG-CB 4.02Å; Y1291-L1300 HydrophobicContact CG-CD1 4.06Å; Y1291-L1300 HydrophobicContact CG-CG 4.48Å; Y1291-L1303 HydrophobicContact CE2-CD2 4.23Å |
| 1292 | E | 85.3 | Confident | 87.7 | Confident | 42 Ų | 42 | 53.7 Ų | 53.7 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | -179.5 | -79.6 | -165.9 | 152.7 | 0 | 0 | 111.7 | I1288 R1294 G1295 F1297 L1300 L1324 K1327 | I1288-E1292 HydrophobicContact CG2-CG 4.15Å; I1288-E1292 WeakPolarHBondContact O-CB 3.28Å; I1288-E1292 PolarHBondContact O-N 2.96Å; E1292-R1294 PolarHBondContact O-N 3.33Å; E1292-R1294 VanDerWaalsContact O-N 3.09Å; E1292-G1295 PolarHBondContact O-N 2.74Å; E1292-F1297 HydrophobicContact CB-CE1 4.13Å; E1292-F1297 HydrophobicContact CG-CD1 4.2Å; E1292-F1297 HydrophobicContact CG-CE1 4.14Å; E1292-F1297 WeakPolarHBondContact O-CE1 3.47Å; E1292-L1300 HydrophobicContact CG-CD2 4.22Å; E1292-L1324 HydrophobicContact CG-CD2 4.3Å; E1292-L1324 WeakPolarHBondContact OE1-CD2 3.24Å; E1292-K1327 IonicContact OE1-NZ 3.5Å; E1292-K1327 PolarHBondContact OE1-NZ 3.44Å; E1292-K1327 IonicContact OE2-NZ 2.67Å |
| 1293 | Q | 86.2 | Confident | 88 | Confident | 156 Ų | 156 | 46.2 Ų | 46.2 | 73% | 0.729 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -22.3 | 179.2 | -77.3 | 178.5 | 5 | 0 | 0 | 113.9 | N1289 Y1291 | N1289-Q1293 WeakPolarHBondContact O-CB 3.12Å; N1289-Q1293 VanDerWaalsContact O-CG 3.25Å; N1289-Q1293 WeakPolarHBondContact O-CG 3.45Å; N1289-Q1293 PolarHBondContact O-N 3.45Å; Y1291-Q1293 PolarHBondContact O-N 3.23Å |
| 1294 | R | 85.5 | Confident | 88.3 | Confident | 93 Ų | 93 | 43.7 Ų | 43.7 | 35% | 0.351 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -2.3 | -179.5 | -70.1 | 167.2 | 176.7 | 66.6 | 9.2 | 113.1 | N1263 Y1290 Y1291 E1292 | N1263-R1294 PolarHBondContact OD1-NE 3.25Å; Y1290-R1294 VanDerWaalsContact CE2-CZ 3.46Å; Y1290-R1294 VanDerWaalsContact CE2-NH1 3.33Å; Y1290-R1294 WeakPolarHBondContact O-CD 3.48Å; Y1290-R1294 PolarHBondContact O-NH1 3.39Å; Y1290-R1294 VanDerWaalsContact O-NH1 3.08Å; Y1290-R1294 PolarHBondContact OH-NH2 2.81Å; Y1290-R1294 VanDerWaalsContact OH-NH2 3.09Å; Y1291-R1294 PolarHBondContact O-N 2.98Å; E1292-R1294 PolarHBondContact O-N 3.33Å; E1292-R1294 VanDerWaalsContact O-N 3.09Å |
| 1295 | G | 85.2 | Confident | 88.4 | Confident | 39 Ų | 39 | 46.3 Ų | 46.3 | 40% | 0.402 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 14.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y1291 E1292 F1297 | Y1291-G1295 PolarHBondContact O-N 3.03Å; E1292-G1295 PolarHBondContact O-N 2.74Å; G1295-F1297 VanDerWaalsContact C-N 3.3Å; G1295-F1297 WeakPolarHBondContact O-CD2 3.03Å; G1295-F1297 PolarHBondContact O-N 2.98Å |
| 1296 | H | 88.1 | Confident | 88.5 | Confident | 35 Ų | 35 | 46.7 Ų | 46.7 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | trans | -90.7 | 58 | -178.4 | -65.6 | -51.8 | 0 | 0 | 0 | 111.8 | F1267 Y1291 E1299 L1300 | F1267-H1296 HydrophobicContact CE1-CB 4.36Å; F1267-H1296 AromaticContact CE1-CG 3.82Å; F1267-H1296 AromaticContact CE1-ND1 3.81Å; F1267-H1296 AromaticContact CZ-CE1 3.57Å; F1267-H1296 AromaticContact CZ-ND1 3.54Å; Y1291-H1296 HydrophobicContact CD1-CB 3.85Å; Y1291-H1296 WeakPolarHBondContact CD1-O 3.48Å; Y1291-H1296 PolarHBondContact O-N 3.5Å; Y1291-H1296 VanDerWaalsContact O-N 3.17Å; H1296-E1299 VanDerWaalsContact C-OE2 3.27Å; H1296-E1299 VanDerWaalsContact CA-OE2 3.3Å; H1296-E1299 WeakPolarHBondContact CA-OE2 3.22Å; H1296-E1299 WeakPolarHBondContact CB-OE2 3.31Å; H1296-E1299 IonicContact ND1-OE2 3.84Å; H1296-L1300 WeakPolarHBondContact O-CB 3.32Å; H1296-L1300 PolarHBondContact O-N 2.89Å | ||
| 1297 | F | 87.7 | Confident | 88.6 | Confident | 65 Ų | 65 | 42.8 Ų | 42.8 | 29% | 0.285 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -72 | -38.8 | -173.7 | -46 | -64.8 | 0 | 0 | 0 | 112.5 | E1292 G1295 E1299 L1300 I1301 F1328 | E1292-F1297 HydrophobicContact CB-CE1 4.13Å; E1292-F1297 HydrophobicContact CG-CD1 4.2Å; E1292-F1297 HydrophobicContact CG-CE1 4.14Å; E1292-F1297 WeakPolarHBondContact O-CE1 3.47Å; G1295-F1297 VanDerWaalsContact C-N 3.3Å; G1295-F1297 WeakPolarHBondContact O-CD2 3.03Å; G1295-F1297 PolarHBondContact O-N 2.98Å; F1297-E1299 VanDerWaalsContact C-N 3.34Å; F1297-E1299 PolarHBondContact O-N 3.47Å; F1297-L1300 PolarHBondContact O-N 3.28Å; F1297-I1301 WeakPolarHBondContact O-CB 3.01Å; F1297-I1301 VanDerWaalsContact O-CG1 3.27Å; F1297-I1301 WeakPolarHBondContact O-CG1 3.41Å; F1297-I1301 PolarHBondContact O-N 3.45Å; F1297-F1328 HydrophobicContact CB-CD1 4.26Å; F1297-F1328 HydrophobicContact CB-CD2 4.1Å; F1297-F1328 HydrophobicContact CB-CE2 4.38Å; F1297-F1328 HydrophobicContact CB-CG 4.04Å; F1297-F1328 HydrophobicContact CD1-CD1 4.22Å; F1297-F1328 HydrophobicContact CD1-CD2 4.1Å; F1297-F1328 AromaticContact CD1-CE1 3.65Å; F1297-F1328 HydrophobicContact CD1-CE1 3.65Å; F1297-F1328 AromaticContact CD1-CE2 3.51Å; F1297-F1328 HydrophobicContact CD1-CE2 3.51Å; F1297-F1328 HydrophobicContact CD1-CG 4.43Å; F1297-F1328 AromaticContact CD1-CZ 3.27Å; F1297-F1328 HydrophobicContact CD1-CZ 3.27Å; F1297-F1328 AromaticContact CD2-CD1 3.98Å; F1297-F1328 HydrophobicContact CD2-CD1 3.98Å; F1297-F1328 AromaticContact CD2-CE1 3.82Å; F1297-F1328 HydrophobicContact CD2-CE1 3.82Å; F1297-F1328 HydrophobicContact CD2-CZ 4.31Å; F1297-F1328 AromaticContact CE1-CE1 3.64Å; F1297-F1328 HydrophobicContact CE1-CE1 3.64Å; F1297-F1328 AromaticContact CE1-CE2 3.97Å; F1297-F1328 HydrophobicContact CE1-CE2 3.97Å; F1297-F1328 AromaticContact CE1-CZ 3.27Å; F1297-F1328 HydrophobicContact CE1-CZ 3.27Å; F1297-F1328 HydrophobicContact CE2-CD1 4.36Å; F1297-F1328 AromaticContact CE2-CE1 3.81Å; F1297-F1328 HydrophobicContact CE2-CE1 3.81Å; F1297-F1328 HydrophobicContact CE2-CZ 4.31Å; F1297-F1328 AromaticContact CG-CD1 3.89Å; F1297-F1328 HydrophobicContact CG-CD1 3.89Å; F1297-F1328 HydrophobicContact CG-CD2 4.18Å; F1297-F1328 AromaticContact CG-CE1 3.74Å; F1297-F1328 HydrophobicContact CG-CE1 3.74Å; F1297-F1328 HydrophobicContact CG-CE2 4.04Å; F1297-F1328 HydrophobicContact CG-CG 4.12Å; F1297-F1328 AromaticContact CG-CZ 3.82Å; F1297-F1328 HydrophobicContact CG-CZ 3.82Å; F1297-F1328 AromaticContact CZ-CE1 3.71Å; F1297-F1328 HydrophobicContact CZ-CE1 3.71Å; F1297-F1328 AromaticContact CZ-CZ 3.82Å; F1297-F1328 HydrophobicContact CZ-CZ 3.82Å |
| 1298 | D | 87.7 | Confident | 88.4 | Confident | 83 Ų | 83 | 44.3 Ų | 44.3 | 44% | 0.444 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.9 | -41.6 | -179.8 | -81.4 | -46.8 | 0 | 0 | 0 | 111.8 | I1301 Q1302 K1329 | D1298-I1301 PolarHBondContact O-N 2.94Å; D1298-Q1302 VanDerWaalsContact O-CG 3.32Å; D1298-Q1302 WeakPolarHBondContact O-CG 3.45Å; D1298-Q1302 PolarHBondContact O-N 3.45Å; D1298-K1329 WeakPolarHBondContact OD1-CE 3.37Å; D1298-K1329 IonicContact OD1-NZ 3.76Å; D1298-K1329 PolarHBondContact OD1-NZ 2.79Å |
| 1299 | E | 88.3 | Confident | 88.2 | Confident | 50 Ų | 50 | 47.4 Ų | 47.4 | 23% | 0.234 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.8 | -34.6 | 179.6 | -58.9 | 86.5 | 171.3 | 0 | 0 | 111.6 | F1267 Y1291 H1296 F1297 L1303 | F1267-E1299 HydrophobicContact CB-CG 4.24Å; F1267-E1299 HydrophobicContact CD1-CB 4.02Å; F1267-E1299 HydrophobicContact CD1-CG 3.68Å; F1267-E1299 HydrophobicContact CD2-CG 4.18Å; F1267-E1299 HydrophobicContact CE1-CB 4.45Å; F1267-E1299 HydrophobicContact CE1-CG 4.02Å; F1267-E1299 HydrophobicContact CE2-CG 4.47Å; F1267-E1299 HydrophobicContact CG-CB 4.46Å; F1267-E1299 HydrophobicContact CG-CG 3.77Å; F1267-E1299 HydrophobicContact CZ-CG 4.4Å; Y1291-E1299 HydrophobicContact CE1-CB 4.09Å; H1296-E1299 VanDerWaalsContact C-OE2 3.27Å; H1296-E1299 VanDerWaalsContact CA-OE2 3.3Å; H1296-E1299 WeakPolarHBondContact CA-OE2 3.22Å; H1296-E1299 WeakPolarHBondContact CB-OE2 3.31Å; H1296-E1299 IonicContact ND1-OE2 3.84Å; F1297-E1299 VanDerWaalsContact C-N 3.34Å; F1297-E1299 PolarHBondContact O-N 3.47Å; E1299-L1303 WeakPolarHBondContact O-CB 3.24Å; E1299-L1303 PolarHBondContact O-N 2.84Å |
| 1300 | L | 90.4 | Very high | 88 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 171.6 | 179.8 | 60.6 | 0 | 0 | 0 | 111.5 | I1288 Y1291 E1292 H1296 F1297 L1303 L1304 L1324 | I1288-L1300 HydrophobicContact CB-CD2 4.34Å; I1288-L1300 HydrophobicContact CG1-CD1 4.18Å; I1288-L1300 HydrophobicContact CG1-CD2 4.32Å; I1288-L1300 HydrophobicContact CG2-CD2 4.05Å; Y1291-L1300 HydrophobicContact CD1-CB 3.93Å; Y1291-L1300 HydrophobicContact CD2-CD1 4.17Å; Y1291-L1300 HydrophobicContact CG-CB 4.02Å; Y1291-L1300 HydrophobicContact CG-CD1 4.06Å; Y1291-L1300 HydrophobicContact CG-CG 4.48Å; E1292-L1300 HydrophobicContact CG-CD2 4.22Å; H1296-L1300 WeakPolarHBondContact O-CB 3.32Å; H1296-L1300 PolarHBondContact O-N 2.89Å; F1297-L1300 PolarHBondContact O-N 3.28Å; L1300-L1303 WeakPolarHBondContact O-CB 3.44Å; L1300-L1303 PolarHBondContact O-N 3.28Å; L1300-L1304 PolarHBondContact O-N 3.46Å; L1300-L1324 HydrophobicContact CD2-CD1 3.54Å; L1300-L1324 HydrophobicContact CD2-CD2 3.87Å; L1300-L1324 HydrophobicContact CD2-CG 4.37Å; L1300-L1324 HydrophobicContact CG-CD1 3.71Å |
| 1301 | I | 91.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 176.2 | -72.7 | 169.2 | 0 | 0 | 0 | 110.1 | F1297 D1298 L1303 L1304 E1305 L1321 L1324 Y1325 F1328 K1329 | F1297-I1301 WeakPolarHBondContact O-CB 3.01Å; F1297-I1301 VanDerWaalsContact O-CG1 3.27Å; F1297-I1301 WeakPolarHBondContact O-CG1 3.41Å; F1297-I1301 PolarHBondContact O-N 3.45Å; D1298-I1301 PolarHBondContact O-N 2.94Å; I1301-L1303 VanDerWaalsContact C-N 3.25Å; I1301-L1303 PolarHBondContact O-N 2.89Å; I1301-L1304 PolarHBondContact O-N 3.3Å; I1301-E1305 HydrophobicContact CG2-CG 4.17Å; I1301-E1305 WeakPolarHBondContact CG2-OE1 3.21Å; I1301-E1305 WeakPolarHBondContact O-CB 3.34Å; I1301-E1305 VanDerWaalsContact O-CG 3.3Å; I1301-E1305 WeakPolarHBondContact O-CG 3.39Å; I1301-E1305 PolarHBondContact O-N 2.93Å; I1301-L1321 HydrophobicContact CG2-CD1 4.27Å; I1301-L1324 HydrophobicContact CG1-CB 4.18Å; I1301-Y1325 HydrophobicContact CG2-CD1 4.41Å; I1301-Y1325 HydrophobicContact CG2-CE1 3.63Å; I1301-F1328 HydrophobicContact CD1-CB 4.27Å; I1301-K1329 HydrophobicContact CD1-CD 3.99Å; I1301-K1329 HydrophobicContact CD1-CG 4.04Å |
| 1302 | Q | 90.5 | Very high | 87.2 | Confident | 101 Ų | 101 | 62 Ų | 62 | 47% | 0.472 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.6 | -35.1 | 176.7 | -74.3 | 175.7 | 29.2 | 0 | 0 | 112.7 | Q1271 D1298 A1306 | Q1271-Q1302 PolarHBondContact NE2-O 3.05Å; D1298-Q1302 VanDerWaalsContact O-CG 3.32Å; D1298-Q1302 WeakPolarHBondContact O-CG 3.45Å; D1298-Q1302 PolarHBondContact O-N 3.45Å; Q1302-A1306 VanDerWaalsContact O-CB 3.3Å; Q1302-A1306 WeakPolarHBondContact O-CB 3.4Å; Q1302-A1306 PolarHBondContact O-N 3.37Å |
| 1303 | L | 90.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.9 | -47.5 | 175.5 | 170.4 | 60.7 | 0 | 0 | 0 | 111.6 | Q1271 G1274 L1275 V1278 L1287 Y1291 E1299 L1300 I1301 A1306 G1307 | Q1271-L1303 HydrophobicContact CG-CD1 4.11Å; G1274-L1303 VanDerWaalsContact C-CD1 3.49Å; L1275-L1303 HydrophobicContact CD2-CD1 4.05Å; L1275-L1303 HydrophobicContact CG-CD1 4Å; V1278-L1303 HydrophobicContact CG1-CD1 4.42Å; V1278-L1303 HydrophobicContact CG1-CD2 4.17Å; V1278-L1303 HydrophobicContact CG1-CG 4.12Å; L1287-L1303 HydrophobicContact CD2-CD2 4.01Å; Y1291-L1303 HydrophobicContact CE2-CD2 4.23Å; E1299-L1303 WeakPolarHBondContact O-CB 3.24Å; E1299-L1303 PolarHBondContact O-N 2.84Å; L1300-L1303 WeakPolarHBondContact O-CB 3.44Å; L1300-L1303 PolarHBondContact O-N 3.28Å; I1301-L1303 VanDerWaalsContact C-N 3.25Å; I1301-L1303 PolarHBondContact O-N 2.89Å; L1303-A1306 PolarHBondContact O-N 3.37Å; L1303-G1307 PolarHBondContact O-N 2.66Å |
| 1304 | L | 91.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.3 | -39 | 178.6 | -69.4 | -174.4 | 0 | 0 | 0 | 112.4 | V1278 L1284 L1300 I1301 A1306 G1307 L1308 E1320 L1321 L1324 | V1278-L1304 HydrophobicContact CB-CD2 4.45Å; V1278-L1304 HydrophobicContact CG1-CD2 3.86Å; L1284-L1304 HydrophobicContact CD1-CD2 3.79Å; L1300-L1304 PolarHBondContact O-N 3.46Å; I1301-L1304 PolarHBondContact O-N 3.3Å; L1304-A1306 PolarHBondContact O-N 3.06Å; L1304-G1307 CarbonylContact O-C 3.59Å; L1304-G1307 WeakPolarHBondContact O-CA 3.26Å; L1304-G1307 PolarHBondContact O-N 2.89Å; L1304-L1308 WeakPolarHBondContact O-CG 3.17Å; L1304-L1308 PolarHBondContact O-N 3.23Å; L1304-E1320 HydrophobicContact CD1-CB 4.47Å; L1304-L1321 HydrophobicContact CB-CB 4.3Å; L1304-L1321 HydrophobicContact CB-CD1 3.92Å; L1304-L1321 HydrophobicContact CB-CG 4.47Å; L1304-L1321 HydrophobicContact CD1-CB 4.08Å; L1304-L1321 HydrophobicContact CD1-CD1 4.33Å; L1304-L1324 HydrophobicContact CD1-CD1 3.51Å |
| 1305 | E | 90.2 | Very high | 87.6 | Confident | 60 Ų | 60 | 55.2 Ų | 55.2 | 28% | 0.28 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.7 | -48.4 | 172.9 | -77.3 | 176 | 173.8 | 0 | 0 | 110.9 | I1301 G1307 L1308 L1321 Y1325 K1332 | I1301-E1305 HydrophobicContact CG2-CG 4.17Å; I1301-E1305 WeakPolarHBondContact CG2-OE1 3.21Å; I1301-E1305 WeakPolarHBondContact O-CB 3.34Å; I1301-E1305 VanDerWaalsContact O-CG 3.3Å; I1301-E1305 WeakPolarHBondContact O-CG 3.39Å; I1301-E1305 PolarHBondContact O-N 2.93Å; E1305-G1307 VanDerWaalsContact C-N 3.26Å; E1305-G1307 PolarHBondContact O-N 3.48Å; E1305-L1308 PolarHBondContact O-N 2.88Å; E1305-L1321 HydrophobicContact CG-CD1 4.45Å; E1305-L1321 HydrophobicContact CG-CD2 4.3Å; E1305-Y1325 VanDerWaalsContact CD-OH 3.3Å; E1305-Y1325 WeakPolarHBondContact CG-OH 3.43Å; E1305-Y1325 PolarHBondContact OE1-OH 3.1Å; E1305-K1332 IonicContact OE1-NZ 3.82Å; E1305-K1332 PolarHBondContact OE1-NZ 2.66Å; E1305-K1332 IonicContact OE2-NZ 3.71Å |
| 1306 | A | 88.6 | Confident | 87.7 | Confident | 41 Ų | 41 | 54.4 Ų | 54.4 | 34% | 0.339 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64 | -33.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1275 Q1302 L1303 L1304 G1309 | L1275-A1306 HydrophobicContact CD2-CB 3.91Å; Q1302-A1306 VanDerWaalsContact O-CB 3.3Å; Q1302-A1306 WeakPolarHBondContact O-CB 3.4Å; Q1302-A1306 PolarHBondContact O-N 3.37Å; L1303-A1306 PolarHBondContact O-N 3.37Å; L1304-A1306 PolarHBondContact O-N 3.06Å; A1306-G1309 PolarHBondContact O-N 3.45Å |
| 1307 | G | 88.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.1 | -31.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | L1303 L1304 E1305 G1309 L1310 M1317 | L1303-G1307 PolarHBondContact O-N 2.66Å; L1304-G1307 CarbonylContact O-C 3.59Å; L1304-G1307 WeakPolarHBondContact O-CA 3.26Å; L1304-G1307 PolarHBondContact O-N 2.89Å; E1305-G1307 VanDerWaalsContact C-N 3.26Å; E1305-G1307 PolarHBondContact O-N 3.48Å; G1307-G1309 PolarHBondContact O-N 2.92Å; G1307-L1310 WeakPolarHBondContact O-CB 3.32Å; G1307-L1310 PolarHBondContact O-N 3.01Å; G1307-L1310 VanDerWaalsContact O-N 3.08Å; G1307-M1317 VanDerWaalsContact CA-CE 3.47Å; G1307-M1317 VanDerWaalsContact O-CE 3.28Å; G1307-M1317 WeakPolarHBondContact O-CE 3.31Å |
| 1308 | L | 86.5 | Confident | 88 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.5 | -26.4 | 178.8 | -63.9 | -168.9 | 0 | 0 | 0 | 113 | L1304 E1305 L1310 M1317 F1318 L1321 F1340 | L1304-L1308 WeakPolarHBondContact O-CG 3.17Å; L1304-L1308 PolarHBondContact O-N 3.23Å; E1305-L1308 PolarHBondContact O-N 2.88Å; L1308-L1310 VanDerWaalsContact C-N 3.3Å; L1308-M1317 HydrophobicContact CD2-CB 4.36Å; L1308-F1318 HydrophobicContact CB-CE1 4.44Å; L1308-F1318 HydrophobicContact CD1-CD1 4.32Å; L1308-F1318 HydrophobicContact CD1-CE1 4.19Å; L1308-F1318 HydrophobicContact CD2-CD1 3.63Å; L1308-F1318 HydrophobicContact CD2-CD2 4.26Å; L1308-F1318 HydrophobicContact CD2-CE1 3.6Å; L1308-F1318 HydrophobicContact CD2-CE2 4.19Å; L1308-F1318 HydrophobicContact CD2-CG 3.96Å; L1308-F1318 HydrophobicContact CD2-CZ 3.85Å; L1308-F1318 HydrophobicContact CG-CE1 4.29Å; L1308-L1321 HydrophobicContact CD1-CD2 3.58Å; L1308-L1321 HydrophobicContact CD2-CD2 4.3Å; L1308-L1321 HydrophobicContact CG-CD2 4.01Å; L1308-F1340 HydrophobicContact CD1-CD2 4.49Å; L1308-F1340 HydrophobicContact CD1-CE2 4.12Å |
| 1309 | G | 83.3 | Confident | 88.3 | Confident | 72 Ų | 72 | 46 Ų | 46 | 74% | 0.742 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -6.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A1306 G1307 | A1306-G1309 PolarHBondContact O-N 3.45Å; G1307-G1309 PolarHBondContact O-N 2.92Å |
| 1310 | L | 84.2 | Confident | 88.4 | Confident | 62 Ų | 62 | 45.1 Ų | 45.1 | 33% | 0.325 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -79.1 | 140.2 | 178.9 | -62 | 175.7 | 0 | 0 | 0 | 111 | L1275 V1279 G1307 L1308 R1312 A1313 | L1275-L1310 HydrophobicContact CB-CD1 4.41Å; L1275-L1310 HydrophobicContact CD2-CD1 4.05Å; V1279-L1310 HydrophobicContact CG2-CD1 3.67Å; G1307-L1310 WeakPolarHBondContact O-CB 3.32Å; G1307-L1310 PolarHBondContact O-N 3.01Å; G1307-L1310 VanDerWaalsContact O-N 3.08Å; L1308-L1310 VanDerWaalsContact C-N 3.3Å; L1310-R1312 PolarHBondContact O-N 3.44Å; L1310-R1312 VanDerWaalsContact O-N 3.07Å; L1310-A1313 VanDerWaalsContact O-CB 3.28Å; L1310-A1313 WeakPolarHBondContact O-CB 3.46Å; L1310-A1313 PolarHBondContact O-N 3.36Å |
| 1311 | E | 78.6 | Confident | 88.5 | Confident | 203 Ų | 203 | 45.1 Ų | 45.1 | 95% | 0.949 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28.2 | 177.3 | -69.2 | -175 | 164 | 0 | 0 | 113.2 | ||
| 1312 | R | 84 | Confident | 88.5 | Confident | 167 Ų | 167 | 45.1 Ų | 45.1 | 63% | 0.63 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 16 | -179.8 | -61 | -179.8 | 63.3 | -168.7 | -2.8 | 113.7 | V1279 L1310 H1314 | V1279-R1312 HydrophobicContact CG1-CB 3.41Å; V1279-R1312 VanDerWaalsContact CG1-CB 3.41Å; V1279-R1312 HydrophobicContact CG1-CG 4.25Å; V1279-R1312 HydrophobicContact CG2-CB 4.42Å; L1310-R1312 PolarHBondContact O-N 3.44Å; L1310-R1312 VanDerWaalsContact O-N 3.07Å; R1312-H1314 PolarHBondContact O-N 2.91Å |
| 1313 | A | 85.7 | Confident | 88.5 | Confident | 8 Ų | 8 | 41 Ų | 41 | 7% | 0.066 | 22% | 0.223 | C | C | . | . | trans | -62.7 | 122.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | L1310 M1317 F1318 R1343 | L1310-A1313 VanDerWaalsContact O-CB 3.28Å; L1310-A1313 WeakPolarHBondContact O-CB 3.46Å; L1310-A1313 PolarHBondContact O-N 3.36Å; A1313-M1317 HydrophobicContact CB-CE 4.41Å; A1313-M1317 HydrophobicContact CB-SD 4.07Å; A1313-F1318 HydrophobicContact CB-CE2 3.96Å; A1313-F1318 HydrophobicContact CB-CZ 4.22Å; A1313-R1343 PolarHBondContact O-NH2 3.43Å | ||
| 1314 | H | 90.4 | Very high | 88.5 | Confident | 43 Ų | 43 | 41.1 Ų | 41.1 | 20% | 0.199 | 22% | 0.223 | C | C | . | . | trans | -109.6 | 164.7 | -177.7 | 65.6 | -87.4 | 0 | 0 | 0 | 111.3 | V1278 V1279 A1281 R1312 G1316 M1317 F1318 | V1278-H1314 PolarHBondContact O-CE1 3.1Å; V1279-H1314 PolarHBondContact O-ND1 3.4Å; A1281-H1314 VanDerWaalsContact CA-NE2 3.32Å; A1281-H1314 WeakPolarHBondContact CA-NE2 3.36Å; A1281-H1314 VanDerWaalsContact CB-NE2 3.33Å; A1281-H1314 WeakPolarHBondContact CB-NE2 3.4Å; R1312-H1314 PolarHBondContact O-N 2.91Å; H1314-G1316 PolarHBondContact CD2-N 3.38Å; H1314-G1316 VanDerWaalsContact CD2-N 3.3Å; H1314-G1316 PolarHBondContact O-N 3.3Å; H1314-G1316 VanDerWaalsContact O-N 3.08Å; H1314-M1317 WeakPolarHBondContact O-CB 3.46Å; H1314-M1317 PolarHBondContact O-N 2.92Å; H1314-F1318 WeakPolarHBondContact O-CD2 3.39Å | ||
| 1315 | M | 87.9 | Confident | 88.6 | Confident | 97 Ų | 97 | 41.8 Ų | 41.8 | 48% | 0.478 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -52.4 | -34 | -175.1 | 175 | 179.6 | -69.3 | 0 | 0 | 114.1 | M1317 F1318 T1319 R1343 N1345 | M1315-M1317 VanDerWaalsContact C-N 3.31Å; M1315-M1317 PolarHBondContact O-N 2.9Å; M1315-F1318 PolarHBondContact O-N 2.79Å; M1315-T1319 WeakPolarHBondContact O-CB 3.39Å; M1315-T1319 PolarHBondContact O-N 3.33Å; M1315-T1319 PolarHBondContact O-OG1 3Å; M1315-R1343 WeakPolarHBondContact CA-O 3.45Å; M1315-R1343 VanDerWaalsContact CG-O 3.27Å; M1315-R1343 WeakPolarHBondContact CG-O 3.44Å; M1315-N1345 HydrophobicContact SD-CB 4.2Å |
| 1316 | G | 88.3 | Confident | 88.6 | Confident | 23 Ų | 23 | 39.2 Ų | 39.2 | 24% | 0.237 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.7 | -44.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1284 H1314 F1318 T1319 E1320 | L1284-G1316 VanDerWaalsContact CD2-C 3.43Å; H1314-G1316 PolarHBondContact CD2-N 3.38Å; H1314-G1316 VanDerWaalsContact CD2-N 3.3Å; H1314-G1316 PolarHBondContact O-N 3.3Å; H1314-G1316 VanDerWaalsContact O-N 3.08Å; G1316-F1318 PolarHBondContact O-N 3.19Å; G1316-T1319 PolarHBondContact O-N 3.44Å; G1316-E1320 WeakPolarHBondContact O-CB 3.49Å; G1316-E1320 WeakPolarHBondContact O-CG 3.32Å; G1316-E1320 PolarHBondContact O-N 3.01Å |
| 1317 | M | 91 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -44.7 | -179.8 | -60.5 | 171.9 | 64.8 | 0 | 0 | 112.3 | V1278 L1284 G1307 L1308 A1313 H1314 M1315 T1319 L1321 | V1278-M1317 HydrophobicContact CB-CE 3.97Å; V1278-M1317 HydrophobicContact CB-SD 4.47Å; V1278-M1317 HydrophobicContact CG2-CE 3.65Å; V1278-M1317 HydrophobicContact CG2-SD 4.48Å; L1284-M1317 HydrophobicContact CD2-CG 4.18Å; G1307-M1317 VanDerWaalsContact CA-CE 3.47Å; G1307-M1317 VanDerWaalsContact O-CE 3.28Å; G1307-M1317 WeakPolarHBondContact O-CE 3.31Å; L1308-M1317 HydrophobicContact CD2-CB 4.36Å; A1313-M1317 HydrophobicContact CB-CE 4.41Å; A1313-M1317 HydrophobicContact CB-SD 4.07Å; H1314-M1317 WeakPolarHBondContact O-CB 3.46Å; H1314-M1317 PolarHBondContact O-N 2.92Å; M1315-M1317 VanDerWaalsContact C-N 3.31Å; M1315-M1317 PolarHBondContact O-N 2.9Å; M1317-T1319 VanDerWaalsContact C-N 3.33Å; M1317-L1321 WeakPolarHBondContact O-CB 3.34Å; M1317-L1321 PolarHBondContact O-N 3.49Å |
| 1318 | F | 91.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.2 | -38.5 | 177.6 | -63 | -92.2 | 0 | 0 | 0 | 111.6 | L1308 A1313 H1314 M1315 G1316 A1322 H1336 F1340 R1343 V1344 | L1308-F1318 HydrophobicContact CB-CE1 4.44Å; L1308-F1318 HydrophobicContact CD1-CD1 4.32Å; L1308-F1318 HydrophobicContact CD1-CE1 4.19Å; L1308-F1318 HydrophobicContact CD2-CD1 3.63Å; L1308-F1318 HydrophobicContact CD2-CD2 4.26Å; L1308-F1318 HydrophobicContact CD2-CE1 3.6Å; L1308-F1318 HydrophobicContact CD2-CE2 4.19Å; L1308-F1318 HydrophobicContact CD2-CG 3.96Å; L1308-F1318 HydrophobicContact CD2-CZ 3.85Å; L1308-F1318 HydrophobicContact CG-CE1 4.29Å; A1313-F1318 HydrophobicContact CB-CE2 3.96Å; A1313-F1318 HydrophobicContact CB-CZ 4.22Å; H1314-F1318 WeakPolarHBondContact O-CD2 3.39Å; M1315-F1318 PolarHBondContact O-N 2.79Å; G1316-F1318 PolarHBondContact O-N 3.19Å; F1318-A1322 WeakPolarHBondContact O-CB 3.14Å; F1318-A1322 PolarHBondContact O-N 3.21Å; F1318-H1336 PolarHBondContact O-NE2 2.73Å; F1318-F1340 HydrophobicContact CD1-CB 3.74Å; F1318-F1340 HydrophobicContact CD1-CD1 4.06Å; F1318-F1340 HydrophobicContact CD1-CD2 4.28Å; F1318-F1340 AromaticContact CD1-CG 3.77Å; F1318-F1340 HydrophobicContact CD1-CG 3.77Å; F1318-F1340 HydrophobicContact CE1-CB 4.23Å; F1318-F1340 AromaticContact CE1-CD1 3.65Å; F1318-F1340 HydrophobicContact CE1-CD1 3.65Å; F1318-F1340 HydrophobicContact CE1-CD2 4.38Å; F1318-F1340 HydrophobicContact CE1-CE1 4.06Å; F1318-F1340 AromaticContact CE1-CG 3.83Å; F1318-F1340 HydrophobicContact CE1-CG 3.83Å; F1318-R1343 WeakPolarHBondContact CB-O 3.25Å; F1318-R1343 HydrophobicContact CD1-CB 4.3Å; F1318-R1343 HydrophobicContact CD2-CB 4.06Å; F1318-R1343 HydrophobicContact CE2-CB 4.41Å; F1318-R1343 HydrophobicContact CG-CB 4.04Å; F1318-R1343 VanDerWaalsContact CZ-NH1 3.28Å; F1318-V1344 HydrophobicContact CB-CG1 3.67Å |
| 1319 | T | 92.9 | Very high | 88.6 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69 | -49.1 | -178.7 | -54.1 | 0 | 0 | 0 | 0 | 110.8 | M1315 G1316 M1317 A1322 I1323 N1345 K1348 V1349 | M1315-T1319 WeakPolarHBondContact O-CB 3.39Å; M1315-T1319 PolarHBondContact O-N 3.33Å; M1315-T1319 PolarHBondContact O-OG1 3Å; G1316-T1319 PolarHBondContact O-N 3.44Å; M1317-T1319 VanDerWaalsContact C-N 3.33Å; T1319-A1322 WeakPolarHBondContact O-CB 3.24Å; T1319-A1322 PolarHBondContact O-N 3.09Å; T1319-I1323 HydrophobicContact CG2-CD1 4.21Å; T1319-I1323 VanDerWaalsContact O-CG1 3.29Å; T1319-I1323 WeakPolarHBondContact O-CG1 3.4Å; T1319-I1323 PolarHBondContact O-N 3.18Å; T1319-N1345 HydrophobicContact CG2-CB 3.89Å; T1319-N1345 PolarHBondContact OG1-N 2.58Å; T1319-K1348 HydrophobicContact CG2-CB 4.05Å; T1319-K1348 HydrophobicContact CG2-CD 3.9Å; T1319-K1348 HydrophobicContact CG2-CG 4.32Å; T1319-V1349 HydrophobicContact CG2-CG2 3.9Å |
| 1320 | E | 91 | Very high | 88.7 | Confident | 33 Ų | 33 | 45.7 Ų | 45.7 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68 | -36.5 | 178.7 | -66.2 | -56.6 | 151.2 | 0 | 0 | 112 | L1284 I1288 L1304 G1316 A1322 I1323 L1324 K1348 | L1284-E1320 HydrophobicContact CD2-CB 4.41Å; L1284-E1320 HydrophobicContact CD2-CG 3.91Å; L1284-E1320 HydrophobicContact CG-CG 4.36Å; I1288-E1320 HydrophobicContact CD1-CB 3.42Å; I1288-E1320 VanDerWaalsContact CD1-CB 3.42Å; I1288-E1320 HydrophobicContact CD1-CG 3.44Å; I1288-E1320 VanDerWaalsContact CD1-CG 3.44Å; L1304-E1320 HydrophobicContact CD1-CB 4.47Å; G1316-E1320 WeakPolarHBondContact O-CB 3.49Å; G1316-E1320 WeakPolarHBondContact O-CG 3.32Å; G1316-E1320 PolarHBondContact O-N 3.01Å; E1320-A1322 VanDerWaalsContact C-N 3.32Å; E1320-A1322 PolarHBondContact O-N 3.35Å; E1320-I1323 PolarHBondContact O-N 2.64Å; E1320-L1324 WeakPolarHBondContact O-CG 3.5Å; E1320-L1324 PolarHBondContact O-N 3.01Å; E1320-K1348 IonicContact OE1-NZ 3.43Å; E1320-K1348 PolarHBondContact OE1-NZ 3.06Å |
| 1321 | L | 91.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 172.2 | -177.2 | 61.3 | 0 | 0 | 0 | 111.6 | I1301 L1304 E1305 L1308 M1317 I1323 L1324 Y1325 | I1301-L1321 HydrophobicContact CG2-CD1 4.27Å; L1304-L1321 HydrophobicContact CB-CB 4.3Å; L1304-L1321 HydrophobicContact CB-CD1 3.92Å; L1304-L1321 HydrophobicContact CB-CG 4.47Å; L1304-L1321 HydrophobicContact CD1-CB 4.08Å; L1304-L1321 HydrophobicContact CD1-CD1 4.33Å; E1305-L1321 HydrophobicContact CG-CD1 4.45Å; E1305-L1321 HydrophobicContact CG-CD2 4.3Å; L1308-L1321 HydrophobicContact CD1-CD2 3.58Å; L1308-L1321 HydrophobicContact CD2-CD2 4.3Å; L1308-L1321 HydrophobicContact CG-CD2 4.01Å; M1317-L1321 WeakPolarHBondContact O-CB 3.34Å; M1317-L1321 PolarHBondContact O-N 3.49Å; L1321-I1323 VanDerWaalsContact C-N 3.3Å; L1321-I1323 PolarHBondContact O-N 3.22Å; L1321-L1324 PolarHBondContact O-N 3.19Å; L1321-Y1325 HydrophobicContact CD1-CD1 4.22Å; L1321-Y1325 HydrophobicContact CD1-CD2 4.43Å; L1321-Y1325 HydrophobicContact CD1-CE1 3.79Å; L1321-Y1325 HydrophobicContact CD1-CE2 3.98Å; L1321-Y1325 HydrophobicContact CD2-CE2 3.84Å; L1321-Y1325 HydrophobicContact CG-CD2 4.03Å; L1321-Y1325 HydrophobicContact CG-CE1 4.34Å; L1321-Y1325 HydrophobicContact CG-CE2 3.6Å; L1321-Y1325 PolarHBondContact O-N 2.86Å |
| 1322 | A | 91.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.5 | -39.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1318 T1319 E1320 Y1325 S1326 M1333 V1349 | F1318-A1322 WeakPolarHBondContact O-CB 3.14Å; F1318-A1322 PolarHBondContact O-N 3.21Å; T1319-A1322 WeakPolarHBondContact O-CB 3.24Å; T1319-A1322 PolarHBondContact O-N 3.09Å; E1320-A1322 VanDerWaalsContact C-N 3.32Å; E1320-A1322 PolarHBondContact O-N 3.35Å; A1322-Y1325 PolarHBondContact O-N 3.43Å; A1322-S1326 PolarHBondContact O-N 2.78Å; A1322-M1333 HydrophobicContact CB-SD 4.26Å; A1322-V1349 HydrophobicContact CB-CG1 3.89Å; A1322-V1349 HydrophobicContact CB-CG2 3.97Å |
| 1323 | I | 90.8 | Very high | 89.6 | Confident | 16 Ų | 16 | 34.6 Ų | 34.6 | 8% | 0.082 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.9 | -38.6 | 175.8 | -64.9 | 165.1 | 0 | 0 | 0 | 111.2 | T1319 E1320 L1321 S1326 K1327 K1348 A1352 | T1319-I1323 HydrophobicContact CG2-CD1 4.21Å; T1319-I1323 VanDerWaalsContact O-CG1 3.29Å; T1319-I1323 WeakPolarHBondContact O-CG1 3.4Å; T1319-I1323 PolarHBondContact O-N 3.18Å; E1320-I1323 PolarHBondContact O-N 2.64Å; L1321-I1323 VanDerWaalsContact C-N 3.3Å; L1321-I1323 PolarHBondContact O-N 3.22Å; I1323-S1326 PolarHBondContact O-N 3.08Å; I1323-S1326 PolarHBondContact O-OG 3.3Å; I1323-K1327 WeakPolarHBondContact O-CG 3.43Å; I1323-K1327 PolarHBondContact O-N 3.43Å; I1323-K1327 VanDerWaalsContact O-N 3.14Å; I1323-K1348 HydrophobicContact CD1-CD 3.96Å; I1323-K1348 HydrophobicContact CD1-CG 4.03Å; I1323-A1352 HydrophobicContact CB-CB 4.36Å; I1323-A1352 HydrophobicContact CG1-CB 3.79Å; I1323-A1352 HydrophobicContact CG2-CB 4.26Å |
| 1324 | L | 90.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70 | -40.1 | 176 | -70.7 | 171.4 | 0 | 0 | 0 | 111.8 | E1292 L1300 I1301 L1304 E1320 L1321 S1326 K1327 F1328 | E1292-L1324 HydrophobicContact CG-CD2 4.3Å; E1292-L1324 WeakPolarHBondContact OE1-CD2 3.24Å; L1300-L1324 HydrophobicContact CD2-CD1 3.54Å; L1300-L1324 HydrophobicContact CD2-CD2 3.87Å; L1300-L1324 HydrophobicContact CD2-CG 4.37Å; L1300-L1324 HydrophobicContact CG-CD1 3.71Å; I1301-L1324 HydrophobicContact CG1-CB 4.18Å; L1304-L1324 HydrophobicContact CD1-CD1 3.51Å; E1320-L1324 WeakPolarHBondContact O-CG 3.5Å; E1320-L1324 PolarHBondContact O-N 3.01Å; L1321-L1324 PolarHBondContact O-N 3.19Å; L1324-S1326 VanDerWaalsContact C-N 3.31Å; L1324-S1326 PolarHBondContact O-N 3.33Å; L1324-K1327 PolarHBondContact O-N 3.18Å; L1324-F1328 HydrophobicContact CD2-CD2 3.92Å; L1324-F1328 HydrophobicContact CD2-CE2 3.73Å; L1324-F1328 WeakPolarHBondContact O-CD2 3.49Å; L1324-F1328 PolarHBondContact O-N 2.89Å |
| 1325 | Y | 92.9 | Very high | 89.5 | Confident | 14 Ų | 14 | 41 Ų | 41 | 6% | 0.055 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.2 | -43 | 170.8 | -71.3 | -26.4 | 0 | 0 | 0 | 110.9 | I1301 E1305 L1321 A1322 K1327 K1329 P1330 K1332 H1336 | I1301-Y1325 HydrophobicContact CG2-CD1 4.41Å; I1301-Y1325 HydrophobicContact CG2-CE1 3.63Å; E1305-Y1325 VanDerWaalsContact CD-OH 3.3Å; E1305-Y1325 WeakPolarHBondContact CG-OH 3.43Å; E1305-Y1325 PolarHBondContact OE1-OH 3.1Å; L1321-Y1325 HydrophobicContact CD1-CD1 4.22Å; L1321-Y1325 HydrophobicContact CD1-CD2 4.43Å; L1321-Y1325 HydrophobicContact CD1-CE1 3.79Å; L1321-Y1325 HydrophobicContact CD1-CE2 3.98Å; L1321-Y1325 HydrophobicContact CD2-CE2 3.84Å; L1321-Y1325 HydrophobicContact CG-CD2 4.03Å; L1321-Y1325 HydrophobicContact CG-CE1 4.34Å; L1321-Y1325 HydrophobicContact CG-CE2 3.6Å; L1321-Y1325 PolarHBondContact O-N 2.86Å; A1322-Y1325 PolarHBondContact O-N 3.43Å; Y1325-K1327 VanDerWaalsContact C-N 3.26Å; Y1325-K1327 PolarHBondContact O-N 3.34Å; Y1325-K1329 HydrophobicContact CD1-CB 4.05Å; Y1325-K1329 CarbonylContact O-C 3.08Å; Y1325-K1329 WeakPolarHBondContact O-CA 3.49Å; Y1325-K1329 PolarHBondContact O-N 3.5Å; Y1325-K1329 VanDerWaalsContact O-O 3.12Å; Y1325-P1330 WeakPolarHBondContact O-CA 3.28Å; Y1325-K1332 HydrophobicContact CD1-CB 3.96Å; Y1325-K1332 HydrophobicContact CD1-CD 4.31Å; Y1325-K1332 HydrophobicContact CD2-CB 4.19Å; Y1325-K1332 HydrophobicContact CE1-CB 3.91Å; Y1325-K1332 HydrophobicContact CE1-CD 3.6Å; Y1325-K1332 HydrophobicContact CE1-CG 4.4Å; Y1325-K1332 HydrophobicContact CE2-CB 4.16Å; Y1325-K1332 HydrophobicContact CG-CB 4.09Å; Y1325-H1336 HydrophobicContact CD2-CB 3.77Å; Y1325-H1336 AromaticContact CD2-CG 3.9Å; Y1325-H1336 HydrophobicContact CE2-CB 3.72Å; Y1325-H1336 AromaticContact CE2-CG 3.79Å; Y1325-H1336 AromaticContact CE2-ND1 3.9Å |
| 1326 | S | 90.3 | Very high | 89.7 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 5% | 0.049 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.1 | -34.1 | 178.9 | 78.4 | 0 | 0 | 0 | 0 | 113 | A1322 I1323 L1324 A1356 | A1322-S1326 PolarHBondContact O-N 2.78Å; I1323-S1326 PolarHBondContact O-N 3.08Å; I1323-S1326 PolarHBondContact O-OG 3.3Å; L1324-S1326 VanDerWaalsContact C-N 3.31Å; L1324-S1326 PolarHBondContact O-N 3.33Å; S1326-A1356 VanDerWaalsContact O-CB 3.26Å; S1326-A1356 WeakPolarHBondContact O-CB 3.35Å |
| 1327 | K | 86.7 | Confident | 89.8 | Confident | 110 Ų | 110 | 35.7 Ų | 35.7 | 48% | 0.478 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -83.2 | -41.7 | 179.3 | -69 | 177.9 | -173.2 | 176.3 | 0 | 114.4 | E1292 I1323 L1324 Y1325 | E1292-K1327 IonicContact OE1-NZ 3.5Å; E1292-K1327 PolarHBondContact OE1-NZ 3.44Å; E1292-K1327 IonicContact OE2-NZ 2.67Å; I1323-K1327 WeakPolarHBondContact O-CG 3.43Å; I1323-K1327 PolarHBondContact O-N 3.43Å; I1323-K1327 VanDerWaalsContact O-N 3.14Å; L1324-K1327 PolarHBondContact O-N 3.18Å; Y1325-K1327 VanDerWaalsContact C-N 3.26Å; Y1325-K1327 PolarHBondContact O-N 3.34Å |
| 1328 | F | 88.2 | Confident | 89.6 | Confident | 74 Ų | 74 | 40.6 Ų | 40.6 | 33% | 0.325 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -121.1 | -24.8 | -163.3 | -57.3 | -66.4 | 0 | 0 | 0 | 114.5 | F1297 I1301 L1324 | F1297-F1328 HydrophobicContact CB-CD1 4.26Å; F1297-F1328 HydrophobicContact CB-CD2 4.1Å; F1297-F1328 HydrophobicContact CB-CE2 4.38Å; F1297-F1328 HydrophobicContact CB-CG 4.04Å; F1297-F1328 HydrophobicContact CD1-CD1 4.22Å; F1297-F1328 HydrophobicContact CD1-CD2 4.1Å; F1297-F1328 AromaticContact CD1-CE1 3.65Å; F1297-F1328 HydrophobicContact CD1-CE1 3.65Å; F1297-F1328 AromaticContact CD1-CE2 3.51Å; F1297-F1328 HydrophobicContact CD1-CE2 3.51Å; F1297-F1328 HydrophobicContact CD1-CG 4.43Å; F1297-F1328 AromaticContact CD1-CZ 3.27Å; F1297-F1328 HydrophobicContact CD1-CZ 3.27Å; F1297-F1328 AromaticContact CD2-CD1 3.98Å; F1297-F1328 HydrophobicContact CD2-CD1 3.98Å; F1297-F1328 AromaticContact CD2-CE1 3.82Å; F1297-F1328 HydrophobicContact CD2-CE1 3.82Å; F1297-F1328 HydrophobicContact CD2-CZ 4.31Å; F1297-F1328 AromaticContact CE1-CE1 3.64Å; F1297-F1328 HydrophobicContact CE1-CE1 3.64Å; F1297-F1328 AromaticContact CE1-CE2 3.97Å; F1297-F1328 HydrophobicContact CE1-CE2 3.97Å; F1297-F1328 AromaticContact CE1-CZ 3.27Å; F1297-F1328 HydrophobicContact CE1-CZ 3.27Å; F1297-F1328 HydrophobicContact CE2-CD1 4.36Å; F1297-F1328 AromaticContact CE2-CE1 3.81Å; F1297-F1328 HydrophobicContact CE2-CE1 3.81Å; F1297-F1328 HydrophobicContact CE2-CZ 4.31Å; F1297-F1328 AromaticContact CG-CD1 3.89Å; F1297-F1328 HydrophobicContact CG-CD1 3.89Å; F1297-F1328 HydrophobicContact CG-CD2 4.18Å; F1297-F1328 AromaticContact CG-CE1 3.74Å; F1297-F1328 HydrophobicContact CG-CE1 3.74Å; F1297-F1328 HydrophobicContact CG-CE2 4.04Å; F1297-F1328 HydrophobicContact CG-CG 4.12Å; F1297-F1328 AromaticContact CG-CZ 3.82Å; F1297-F1328 HydrophobicContact CG-CZ 3.82Å; F1297-F1328 AromaticContact CZ-CE1 3.71Å; F1297-F1328 HydrophobicContact CZ-CE1 3.71Å; F1297-F1328 AromaticContact CZ-CZ 3.82Å; F1297-F1328 HydrophobicContact CZ-CZ 3.82Å; I1301-F1328 HydrophobicContact CD1-CB 4.27Å; L1324-F1328 HydrophobicContact CD2-CD2 3.92Å; L1324-F1328 HydrophobicContact CD2-CE2 3.73Å; L1324-F1328 WeakPolarHBondContact O-CD2 3.49Å; L1324-F1328 PolarHBondContact O-N 2.89Å |
| 1329 | K | 89.3 | Confident | 89.4 | Confident | 41 Ų | 41 | 45.6 Ų | 45.6 | 18% | 0.178 | 22% | 0.215 | C | C | . | . | trans | -142.3 | 65.5 | -179.2 | -70.1 | -166.5 | 180 | 171.2 | 0 | 111.4 | D1298 I1301 Y1325 E1331 K1332 | D1298-K1329 WeakPolarHBondContact OD1-CE 3.37Å; D1298-K1329 IonicContact OD1-NZ 3.76Å; D1298-K1329 PolarHBondContact OD1-NZ 2.79Å; I1301-K1329 HydrophobicContact CD1-CD 3.99Å; I1301-K1329 HydrophobicContact CD1-CG 4.04Å; Y1325-K1329 HydrophobicContact CD1-CB 4.05Å; Y1325-K1329 CarbonylContact O-C 3.08Å; Y1325-K1329 WeakPolarHBondContact O-CA 3.49Å; Y1325-K1329 PolarHBondContact O-N 3.5Å; Y1325-K1329 VanDerWaalsContact O-O 3.12Å; K1329-E1331 WeakPolarHBondContact CA-OE2 3.26Å; K1329-E1331 WeakPolarHBondContact CB-OE1 3.25Å; K1329-E1331 PolarHBondContact O-N 3.28Å; K1329-E1331 VanDerWaalsContact O-N 3.15Å; K1329-K1332 HydrophobicContact CD-CD 4.39Å; K1329-K1332 PolarHBondContact O-N 2.82Å; K1329-K1332 VanDerWaalsContact O-N 3.11Å | ||
| 1330 | P | 85.9 | Confident | 89.3 | Confident | 55 Ų | 55 | 48.3 Ų | 48.3 | 36% | 0.357 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.1 | -27 | -174.4 | 24.5 | -34.4 | 0 | 0 | 0 | 112.5 | Y1325 K1332 M1333 L1358 | Y1325-P1330 WeakPolarHBondContact O-CA 3.28Å; P1330-K1332 PolarHBondContact O-N 3.05Å; P1330-M1333 WeakPolarHBondContact O-CB 3.23Å; P1330-M1333 PolarHBondContact O-N 3.21Å; P1330-M1333 VanDerWaalsContact O-N 3.11Å; P1330-L1358 HydrophobicContact CB-CD1 4.24Å; P1330-L1358 HydrophobicContact CB-CD2 3.69Å |
| 1331 | E | 86.9 | Confident | 89.1 | Confident | 133 Ų | 133 | 51.1 Ų | 51.1 | 62% | 0.621 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -61.5 | -27 | 177.5 | 70.2 | -73.9 | 173.3 | 0 | 0 | 114.2 | K1329 | K1329-E1331 WeakPolarHBondContact CA-OE2 3.26Å; K1329-E1331 WeakPolarHBondContact CB-OE1 3.25Å; K1329-E1331 PolarHBondContact O-N 3.28Å; K1329-E1331 VanDerWaalsContact O-N 3.15Å |
| 1332 | K | 88.8 | Confident | 89 | Confident | 67 Ų | 67 | 54.9 Ų | 54.9 | 29% | 0.291 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -88.4 | -15.5 | 177.4 | -69.1 | -167.2 | 175.2 | -160.6 | 0 | 113.5 | E1305 Y1325 K1329 P1330 R1334 E1335 H1336 | E1305-K1332 IonicContact OE1-NZ 3.82Å; E1305-K1332 PolarHBondContact OE1-NZ 2.66Å; E1305-K1332 IonicContact OE2-NZ 3.71Å; Y1325-K1332 HydrophobicContact CD1-CB 3.96Å; Y1325-K1332 HydrophobicContact CD1-CD 4.31Å; Y1325-K1332 HydrophobicContact CD2-CB 4.19Å; Y1325-K1332 HydrophobicContact CE1-CB 3.91Å; Y1325-K1332 HydrophobicContact CE1-CD 3.6Å; Y1325-K1332 HydrophobicContact CE1-CG 4.4Å; Y1325-K1332 HydrophobicContact CE2-CB 4.16Å; Y1325-K1332 HydrophobicContact CG-CB 4.09Å; K1329-K1332 HydrophobicContact CD-CD 4.39Å; K1329-K1332 PolarHBondContact O-N 2.82Å; K1329-K1332 VanDerWaalsContact O-N 3.11Å; P1330-K1332 PolarHBondContact O-N 3.05Å; K1332-R1334 VanDerWaalsContact C-N 3.34Å; K1332-R1334 PolarHBondContact O-N 3.17Å; K1332-E1335 PolarHBondContact O-N 3.38Å; K1332-H1336 PolarHBondContact O-N 3.33Å; K1332-H1336 VanDerWaalsContact O-N 3.11Å |
| 1333 | M | 88.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.5 | -43.2 | -171.8 | -169.8 | 9.2 | -160.6 | 0 | 0 | 111.3 | A1322 P1330 H1336 L1337 V1349 L1358 E1361 | A1322-M1333 HydrophobicContact CB-SD 4.26Å; P1330-M1333 WeakPolarHBondContact O-CB 3.23Å; P1330-M1333 PolarHBondContact O-N 3.21Å; P1330-M1333 VanDerWaalsContact O-N 3.11Å; M1333-H1336 PolarHBondContact O-N 3.16Å; M1333-L1337 HydrophobicContact CE-CD1 3.23Å; M1333-L1337 HydrophobicContact CE-CD2 3.81Å; M1333-L1337 HydrophobicContact CE-CG 3.47Å; M1333-L1337 VanDerWaalsContact CE-CG 3.47Å; M1333-L1337 WeakPolarHBondContact O-CG 3.41Å; M1333-L1337 PolarHBondContact O-N 2.95Å; M1333-L1337 HydrophobicContact SD-CD1 3.96Å; M1333-L1337 HydrophobicContact SD-CD2 4.12Å; M1333-L1337 HydrophobicContact SD-CG 3.6Å; M1333-V1349 HydrophobicContact CE-CG1 3.62Å; M1333-L1358 HydrophobicContact CB-CD1 4.34Å; M1333-L1358 HydrophobicContact CG-CD1 3.84Å; M1333-E1361 HydrophobicContact CB-CG 4.5Å; M1333-E1361 HydrophobicContact CE-CB 4.29Å; M1333-E1361 HydrophobicContact CG-CG 4.15Å |
| 1334 | R | 86 | Confident | 88.8 | Confident | 57 Ų | 57 | 59.4 Ų | 59.4 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.4 | -51.1 | 179 | -175.2 | 67.4 | -171 | -168.4 | 8.7 | 113.1 | K1332 H1336 L1337 E1338 S1360 E1361 | K1332-R1334 VanDerWaalsContact C-N 3.34Å; K1332-R1334 PolarHBondContact O-N 3.17Å; R1334-H1336 VanDerWaalsContact C-N 3.31Å; R1334-H1336 PolarHBondContact O-N 2.74Å; R1334-L1337 PolarHBondContact O-N 3.39Å; R1334-E1338 IonicContact CZ-OE1 2.9Å; R1334-E1338 VanDerWaalsContact CZ-OE1 3.26Å; R1334-E1338 IonicContact NE-OE1 2.92Å; R1334-E1338 PolarHBondContact NE-OE1 3.35Å; R1334-E1338 IonicContact NH2-OE1 2.79Å; R1334-E1338 PolarHBondContact NH2-OE1 2.94Å; R1334-E1338 WeakPolarHBondContact O-CG 3.3Å; R1334-E1338 PolarHBondContact O-N 2.99Å; R1334-S1360 PolarHBondContact NH1-O 3.37Å; R1334-E1361 HydrophobicContact CB-CG 4.49Å |
| 1335 | E | 88.2 | Confident | 88.8 | Confident | 128 Ų | 128 | 62.7 Ų | 62.7 | 60% | 0.598 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 180 | -175.3 | 180 | -177.3 | 0 | 0 | 111 | K1332 L1337 E1338 L1339 | K1332-E1335 PolarHBondContact O-N 3.38Å; E1335-L1337 PolarHBondContact O-N 2.85Å; E1335-E1338 PolarHBondContact O-N 3.41Å; E1335-L1339 HydrophobicContact CG-CD1 4.07Å; E1335-L1339 WeakPolarHBondContact O-CG 3.26Å; E1335-L1339 PolarHBondContact O-N 3.33Å; E1335-L1339 VanDerWaalsContact O-N 3.07Å |
| 1336 | H | 91.7 | Very high | 88.7 | Confident | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 177.1 | -178 | 73.8 | 0 | 0 | 0 | 112.5 | F1318 Y1325 K1332 M1333 R1334 F1340 | F1318-H1336 PolarHBondContact O-NE2 2.73Å; Y1325-H1336 HydrophobicContact CD2-CB 3.77Å; Y1325-H1336 AromaticContact CD2-CG 3.9Å; Y1325-H1336 HydrophobicContact CE2-CB 3.72Å; Y1325-H1336 AromaticContact CE2-CG 3.79Å; Y1325-H1336 AromaticContact CE2-ND1 3.9Å; K1332-H1336 PolarHBondContact O-N 3.33Å; K1332-H1336 VanDerWaalsContact O-N 3.11Å; M1333-H1336 PolarHBondContact O-N 3.16Å; R1334-H1336 VanDerWaalsContact C-N 3.31Å; R1334-H1336 PolarHBondContact O-N 2.74Å; H1336-F1340 AromaticContact CE1-CD2 3.84Å; H1336-F1340 AromaticContact ND1-CD2 3.5Å; H1336-F1340 WeakPolarHBondContact O-CB 3.48Å; H1336-F1340 WeakPolarHBondContact O-CD2 3.29Å; H1336-F1340 PolarHBondContact O-N 3.22Å |
| 1337 | L | 90.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 176.1 | -73 | -172.1 | 0 | 0 | 0 | 112.4 | M1333 R1334 E1335 L1339 F1340 W1341 V1344 V1349 E1361 F1364 L1365 | M1333-L1337 HydrophobicContact CE-CD1 3.23Å; M1333-L1337 HydrophobicContact CE-CD2 3.81Å; M1333-L1337 HydrophobicContact CE-CG 3.47Å; M1333-L1337 VanDerWaalsContact CE-CG 3.47Å; M1333-L1337 WeakPolarHBondContact O-CG 3.41Å; M1333-L1337 PolarHBondContact O-N 2.95Å; M1333-L1337 HydrophobicContact SD-CD1 3.96Å; M1333-L1337 HydrophobicContact SD-CD2 4.12Å; M1333-L1337 HydrophobicContact SD-CG 3.6Å; R1334-L1337 PolarHBondContact O-N 3.39Å; E1335-L1337 PolarHBondContact O-N 2.85Å; L1337-L1339 PolarHBondContact O-N 3.5Å; L1337-F1340 PolarHBondContact O-N 3.3Å; L1337-W1341 WeakPolarHBondContact O-CA 3.4Å; L1337-W1341 WeakPolarHBondContact O-CB 3.32Å; L1337-W1341 PolarHBondContact O-N 2.78Å; L1337-V1344 HydrophobicContact CD2-CG2 4.45Å; L1337-V1349 HydrophobicContact CD2-CG1 4.32Å; L1337-E1361 HydrophobicContact CD1-CB 4.03Å; L1337-E1361 HydrophobicContact CD1-CG 4.42Å; L1337-F1364 HydrophobicContact CB-CD1 4.03Å; L1337-F1364 HydrophobicContact CB-CE1 3.77Å; L1337-F1364 HydrophobicContact CD1-CD1 4.03Å; L1337-L1365 HydrophobicContact CD1-CD1 4Å; L1337-L1365 HydrophobicContact CD1-CD2 3.79Å; L1337-L1365 HydrophobicContact CD1-CG 3.69Å; L1337-L1365 HydrophobicContact CD2-CD2 3.75Å; L1337-L1365 HydrophobicContact CG-CD2 4.37Å |
| 1338 | E | 87.8 | Confident | 88.9 | Confident | 103 Ų | 103 | 63.6 Ų | 63.6 | 48% | 0.481 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.3 | -37.6 | 179.8 | -74.7 | -179.1 | 174.1 | 0 | 0 | 111.9 | R1334 E1335 F1364 | R1334-E1338 IonicContact CZ-OE1 2.9Å; R1334-E1338 VanDerWaalsContact CZ-OE1 3.26Å; R1334-E1338 IonicContact NE-OE1 2.92Å; R1334-E1338 PolarHBondContact NE-OE1 3.35Å; R1334-E1338 IonicContact NH2-OE1 2.79Å; R1334-E1338 PolarHBondContact NH2-OE1 2.94Å; R1334-E1338 WeakPolarHBondContact O-CG 3.3Å; R1334-E1338 PolarHBondContact O-N 2.99Å; E1335-E1338 PolarHBondContact O-N 3.41Å; E1338-F1364 HydrophobicContact CG-CE2 4.18Å; E1338-F1364 HydrophobicContact CG-CZ 4.2Å |
| 1339 | L | 87.5 | Confident | 89.1 | Confident | 107 Ų | 107 | 60 Ų | 60 | 56% | 0.56 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -80.7 | -36.4 | 178.1 | -66.7 | 173.5 | 0 | 0 | 0 | 113.9 | E1335 L1337 | E1335-L1339 HydrophobicContact CG-CD1 4.07Å; E1335-L1339 WeakPolarHBondContact O-CG 3.26Å; E1335-L1339 PolarHBondContact O-N 3.33Å; E1335-L1339 VanDerWaalsContact O-N 3.07Å; L1337-L1339 PolarHBondContact O-N 3.5Å |
| 1340 | F | 90.1 | Very high | 89.2 | Confident | 61 Ų | 61 | 58.6 Ų | 58.6 | 27% | 0.268 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -129.3 | 14.2 | -164.7 | -53.5 | -63.3 | 0 | 0 | 0 | 115.8 | L1308 F1318 H1336 L1337 S1342 R1343 V1344 | L1308-F1340 HydrophobicContact CD1-CD2 4.49Å; L1308-F1340 HydrophobicContact CD1-CE2 4.12Å; F1318-F1340 HydrophobicContact CD1-CB 3.74Å; F1318-F1340 HydrophobicContact CD1-CD1 4.06Å; F1318-F1340 HydrophobicContact CD1-CD2 4.28Å; F1318-F1340 AromaticContact CD1-CG 3.77Å; F1318-F1340 HydrophobicContact CD1-CG 3.77Å; F1318-F1340 HydrophobicContact CE1-CB 4.23Å; F1318-F1340 AromaticContact CE1-CD1 3.65Å; F1318-F1340 HydrophobicContact CE1-CD1 3.65Å; F1318-F1340 HydrophobicContact CE1-CD2 4.38Å; F1318-F1340 HydrophobicContact CE1-CE1 4.06Å; F1318-F1340 AromaticContact CE1-CG 3.83Å; F1318-F1340 HydrophobicContact CE1-CG 3.83Å; H1336-F1340 AromaticContact CE1-CD2 3.84Å; H1336-F1340 AromaticContact ND1-CD2 3.5Å; H1336-F1340 WeakPolarHBondContact O-CB 3.48Å; H1336-F1340 WeakPolarHBondContact O-CD2 3.29Å; H1336-F1340 PolarHBondContact O-N 3.22Å; L1337-F1340 PolarHBondContact O-N 3.3Å; F1340-S1342 PolarHBondContact O-N 2.93Å; F1340-R1343 PolarHBondContact O-N 3Å; F1340-V1344 PolarHBondContact O-N 3.26Å |
| 1341 | W | 87.8 | Confident | 89.4 | Confident | 92 Ų | 92 | 63.3 Ų | 63.3 | 35% | 0.348 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -52.6 | -32.7 | 179.8 | 67.1 | -86.9 | 0 | 0 | 0 | 113.9 | L1337 R1343 V1344 I1346 F1364 K1368 | L1337-W1341 WeakPolarHBondContact O-CA 3.4Å; L1337-W1341 WeakPolarHBondContact O-CB 3.32Å; L1337-W1341 PolarHBondContact O-N 2.78Å; W1341-R1343 PolarHBondContact O-N 3.04Å; W1341-V1344 WeakPolarHBondContact O-CG2 3.16Å; W1341-I1346 HydrophobicContact CE3-CD1 4.37Å; W1341-F1364 HydrophobicContact CB-CE1 4.01Å; W1341-F1364 HydrophobicContact CB-CZ 4.5Å; W1341-F1364 HydrophobicContact CG-CE1 4.4Å; W1341-F1364 HydrophobicContact CG-CZ 4.44Å; W1341-K1368 HydrophobicContact CD2-CB 4.25Å; W1341-K1368 HydrophobicContact CD2-CD 4.31Å; W1341-K1368 HydrophobicContact CD2-CG 4.1Å; W1341-K1368 HydrophobicContact CE3-CB 3.83Å; W1341-K1368 HydrophobicContact CE3-CG 4.2Å; W1341-K1368 HydrophobicContact CG-CG 4.35Å; W1341-K1368 HydrophobicContact CZ2-CD 4.44Å; W1341-K1368 HydrophobicContact CZ3-CB 4.19Å |
| 1342 | S | 87.8 | Confident | 89.5 | Confident | 78 Ų | 78 | 57.5 Ų | 57.5 | 55% | 0.545 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -73.8 | -13.3 | 179.6 | 61.4 | 0 | 0 | 0 | 0 | 113.8 | F1340 | F1340-S1342 PolarHBondContact O-N 2.93Š|
| 1343 | R | 89.5 | Confident | 89.5 | Confident | 105 Ų | 105 | 54.3 Ų | 54.3 | 40% | 0.396 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -111.2 | 8.3 | -178.7 | -61.1 | -172.3 | 71.4 | -179.4 | 1.4 | 113.1 | A1313 M1315 F1318 F1340 W1341 | A1313-R1343 PolarHBondContact O-NH2 3.43Å; M1315-R1343 WeakPolarHBondContact CA-O 3.45Å; M1315-R1343 VanDerWaalsContact CG-O 3.27Å; M1315-R1343 WeakPolarHBondContact CG-O 3.44Å; F1318-R1343 WeakPolarHBondContact CB-O 3.25Å; F1318-R1343 HydrophobicContact CD1-CB 4.3Å; F1318-R1343 HydrophobicContact CD2-CB 4.06Å; F1318-R1343 HydrophobicContact CE2-CB 4.41Å; F1318-R1343 HydrophobicContact CG-CB 4.04Å; F1318-R1343 VanDerWaalsContact CZ-NH1 3.28Å; F1340-R1343 PolarHBondContact O-N 3Å; W1341-R1343 PolarHBondContact O-N 3.04Å |
| 1344 | V | 90.3 | Very high | 89.4 | Confident | 7 Ų | 7 | 58.7 Ų | 58.7 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -106 | 153.1 | 174.1 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | F1318 L1337 F1340 W1341 I1346 V1349 | F1318-V1344 HydrophobicContact CB-CG1 3.67Å; L1337-V1344 HydrophobicContact CD2-CG2 4.45Å; F1340-V1344 PolarHBondContact O-N 3.26Å; W1341-V1344 WeakPolarHBondContact O-CG2 3.16Å; V1344-I1346 HydrophobicContact CG2-CG1 4.14Å; V1344-I1346 PolarHBondContact O-N 2.84Å; V1344-I1346 VanDerWaalsContact O-N 3.13Å; V1344-V1349 HydrophobicContact CB-CG2 4.02Å; V1344-V1349 HydrophobicContact CG2-CG2 4.25Å |
| 1345 | N | 90.9 | Very high | 89.5 | Confident | 70 Ų | 70 | 63.4 Ų | 63.4 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | trans | -77.3 | 93.6 | 166.4 | -176.5 | -44.8 | 0 | 0 | 0 | 108.9 | M1315 T1319 P1347 K1348 V1349 | M1315-N1345 HydrophobicContact SD-CB 4.2Å; T1319-N1345 HydrophobicContact CG2-CB 3.89Å; T1319-N1345 PolarHBondContact OG1-N 2.58Å; N1345-P1347 WeakPolarHBondContact OD1-CD 3.42Å; N1345-K1348 HydrophobicContact CB-CB 4.23Å; N1345-K1348 PolarHBondContact O-N 3.33Å; N1345-K1348 PolarHBondContact OD1-N 3Å; N1345-V1349 WeakPolarHBondContact O-CG2 3.45Å; N1345-V1349 PolarHBondContact O-N 2.98Å; N1345-V1349 VanDerWaalsContact O-N 3.1Å | ||
| 1346 | I | 89.9 | Confident | 89.5 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 10% | 0.097 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -53.3 | -48.3 | -173.4 | -61.6 | 167.1 | 0 | 0 | 0 | 112.6 | W1341 V1344 K1348 V1349 L1350 L1365 Y1369 | W1341-I1346 HydrophobicContact CE3-CD1 4.37Å; V1344-I1346 HydrophobicContact CG2-CG1 4.14Å; V1344-I1346 PolarHBondContact O-N 2.84Å; V1344-I1346 VanDerWaalsContact O-N 3.13Å; I1346-K1348 VanDerWaalsContact C-N 3.26Å; I1346-K1348 PolarHBondContact O-N 3.46Å; I1346-V1349 PolarHBondContact O-N 3.42Å; I1346-V1349 VanDerWaalsContact O-N 3.09Å; I1346-L1350 HydrophobicContact CG2-CD1 3.81Å; I1346-L1350 HydrophobicContact CG2-CG 3.95Å; I1346-L1350 WeakPolarHBondContact O-CB 3.35Å; I1346-L1350 WeakPolarHBondContact O-CG 3.35Å; I1346-L1350 PolarHBondContact O-N 3.5Å; I1346-L1365 HydrophobicContact CG2-CB 4.25Å; I1346-L1365 HydrophobicContact CG2-CD2 4.18Å; I1346-Y1369 HydrophobicContact CB-CD2 4.07Å; I1346-Y1369 HydrophobicContact CB-CG 4.5Å; I1346-Y1369 HydrophobicContact CD1-CD2 3.92Å; I1346-Y1369 HydrophobicContact CG2-CD2 4.02Å; I1346-Y1369 HydrophobicContact CG2-CG 3.94Å |
| 1347 | P | 90.6 | Very high | 89.3 | Confident | 51 Ų | 51 | 64.2 Ų | 64.2 | 33% | 0.331 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.5 | -32.9 | 177 | -28.5 | 35.2 | 0 | 0 | 0 | 115.3 | N1345 R1351 Y1369 | N1345-P1347 WeakPolarHBondContact OD1-CD 3.42Å; P1347-R1351 PolarHBondContact O-NE 2.88Å; P1347-Y1369 HydrophobicContact CG-CE1 4.38Å; P1347-Y1369 HydrophobicContact CG-CE2 4.38Å |
| 1348 | K | 90.7 | Very high | 89.2 | Confident | 79 Ų | 79 | 65.3 Ų | 65.3 | 34% | 0.343 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -74.3 | -41.1 | 176.6 | -162.3 | -179.6 | -179.7 | -178.9 | 0 | 111.1 | T1319 E1320 I1323 N1345 I1346 A1352 | T1319-K1348 HydrophobicContact CG2-CB 4.05Å; T1319-K1348 HydrophobicContact CG2-CD 3.9Å; T1319-K1348 HydrophobicContact CG2-CG 4.32Å; E1320-K1348 IonicContact OE1-NZ 3.43Å; E1320-K1348 PolarHBondContact OE1-NZ 3.06Å; I1323-K1348 HydrophobicContact CD1-CD 3.96Å; I1323-K1348 HydrophobicContact CD1-CG 4.03Å; N1345-K1348 HydrophobicContact CB-CB 4.23Å; N1345-K1348 PolarHBondContact O-N 3.33Å; N1345-K1348 PolarHBondContact OD1-N 3Å; I1346-K1348 VanDerWaalsContact C-N 3.26Å; I1346-K1348 PolarHBondContact O-N 3.46Å; K1348-A1352 PolarHBondContact O-N 3.31Å |
| 1349 | V | 92.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.8 | -35.7 | 178.2 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | T1319 A1322 M1333 L1337 V1344 N1345 I1346 R1351 A1352 A1353 L1365 | T1319-V1349 HydrophobicContact CG2-CG2 3.9Å; A1322-V1349 HydrophobicContact CB-CG1 3.89Å; A1322-V1349 HydrophobicContact CB-CG2 3.97Å; M1333-V1349 HydrophobicContact CE-CG1 3.62Å; L1337-V1349 HydrophobicContact CD2-CG1 4.32Å; V1344-V1349 HydrophobicContact CB-CG2 4.02Å; V1344-V1349 HydrophobicContact CG2-CG2 4.25Å; N1345-V1349 WeakPolarHBondContact O-CG2 3.45Å; N1345-V1349 PolarHBondContact O-N 2.98Å; N1345-V1349 VanDerWaalsContact O-N 3.1Å; I1346-V1349 PolarHBondContact O-N 3.42Å; I1346-V1349 VanDerWaalsContact O-N 3.09Å; V1349-R1351 PolarHBondContact O-N 2.69Å; V1349-A1352 PolarHBondContact O-N 2.76Å; V1349-A1352 VanDerWaalsContact O-N 3.13Å; V1349-A1353 WeakPolarHBondContact O-CB 3.45Å; V1349-A1353 PolarHBondContact O-N 2.8Å; V1349-L1365 HydrophobicContact CB-CD1 4.1Å; V1349-L1365 HydrophobicContact CG1-CD1 3.69Å |
| 1350 | L | 90.8 | Very high | 89.2 | Confident | 11 Ų | 11 | 58.1 Ų | 58.1 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54 | -51.8 | 174 | -81.2 | 170.3 | 0 | 0 | 0 | 111.1 | I1346 A1352 A1353 E1354 L1362 L1365 Y1366 Y1369 | I1346-L1350 HydrophobicContact CG2-CD1 3.81Å; I1346-L1350 HydrophobicContact CG2-CG 3.95Å; I1346-L1350 WeakPolarHBondContact O-CB 3.35Å; I1346-L1350 WeakPolarHBondContact O-CG 3.35Å; I1346-L1350 PolarHBondContact O-N 3.5Å; L1350-A1352 VanDerWaalsContact C-N 3.28Å; L1350-A1352 PolarHBondContact O-N 3.15Å; L1350-A1353 PolarHBondContact O-N 2.83Å; L1350-E1354 WeakPolarHBondContact O-CB 3.4Å; L1350-E1354 PolarHBondContact O-N 3.32Å; L1350-L1362 HydrophobicContact CB-CD1 4.27Å; L1350-L1362 HydrophobicContact CD2-CD1 3.54Å; L1350-L1362 HydrophobicContact CD2-CG 4.28Å; L1350-L1362 WeakPolarHBondContact O-CD1 3.31Å; L1350-L1365 HydrophobicContact CD2-CB 3.4Å; L1350-L1365 HydrophobicContact CD2-CD1 4.07Å; L1350-L1365 HydrophobicContact CD2-CG 4.39Å; L1350-L1365 HydrophobicContact CG-CB 4.04Å; L1350-L1365 HydrophobicContact CG-CD1 4.3Å; L1350-Y1366 HydrophobicContact CD1-CD1 3.95Å; L1350-Y1366 HydrophobicContact CD1-CE1 3.75Å; L1350-Y1366 HydrophobicContact CD2-CD1 3.69Å; L1350-Y1366 HydrophobicContact CD2-CD2 4.28Å; L1350-Y1366 HydrophobicContact CD2-CE1 3.64Å; L1350-Y1366 HydrophobicContact CD2-CE2 4.25Å; L1350-Y1366 HydrophobicContact CD2-CG 4Å; L1350-Y1366 HydrophobicContact CG-CE1 4.29Å; L1350-Y1369 HydrophobicContact CD1-CD1 4.48Å |
| 1351 | R | 90 | Very high | 89.1 | Confident | 154 Ų | 154 | 56.3 Ų | 56.3 | 58% | 0.581 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -60.3 | -37.6 | 177.4 | -72.5 | -176.5 | -74.4 | 170 | -4.3 | 112.8 | P1347 V1349 Q1355 | P1347-R1351 PolarHBondContact O-NE 2.88Å; V1349-R1351 PolarHBondContact O-N 2.69Å; R1351-Q1355 WeakPolarHBondContact O-CB 3.44Å; R1351-Q1355 VanDerWaalsContact O-CG 3.22Å; R1351-Q1355 WeakPolarHBondContact O-CG 3.47Å; R1351-Q1355 PolarHBondContact O-N 2.72Å |
| 1352 | A | 89 | Confident | 89.2 | Confident | 10 Ų | 10 | 51.9 Ų | 51.9 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72.2 | -41.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1323 K1348 V1349 L1350 E1354 Q1355 A1356 | I1323-A1352 HydrophobicContact CB-CB 4.36Å; I1323-A1352 HydrophobicContact CG1-CB 3.79Å; I1323-A1352 HydrophobicContact CG2-CB 4.26Å; K1348-A1352 PolarHBondContact O-N 3.31Å; V1349-A1352 PolarHBondContact O-N 2.76Å; V1349-A1352 VanDerWaalsContact O-N 3.13Å; L1350-A1352 VanDerWaalsContact C-N 3.28Å; L1350-A1352 PolarHBondContact O-N 3.15Å; A1352-E1354 VanDerWaalsContact C-N 3.35Å; A1352-Q1355 PolarHBondContact O-N 3.06Å; A1352-A1356 VanDerWaalsContact O-CB 3.3Å; A1352-A1356 WeakPolarHBondContact O-CB 3.4Å; A1352-A1356 PolarHBondContact O-N 2.98Å |
| 1353 | A | 89.6 | Confident | 89.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1349 L1350 A1356 H1357 L1358 L1362 L1365 | V1349-A1353 WeakPolarHBondContact O-CB 3.45Å; V1349-A1353 PolarHBondContact O-N 2.8Å; L1350-A1353 PolarHBondContact O-N 2.83Å; A1353-A1356 CarbonylContact O-C 3.57Å; A1353-A1356 PolarHBondContact O-N 3.18Å; A1353-H1357 PolarHBondContact O-N 3.48Å; A1353-H1357 VanDerWaalsContact O-N 3.11Å; A1353-L1358 HydrophobicContact CB-CB 4.34Å; A1353-L1358 PolarHBondContact O-N 2.98Å; A1353-L1362 HydrophobicContact CB-CB 4.48Å; A1353-L1362 HydrophobicContact CB-CD1 4.01Å; A1353-L1365 HydrophobicContact CB-CD1 4.44Å |
| 1354 | E | 87.1 | Confident | 89.2 | Confident | 93 Ų | 93 | 44.2 Ų | 44.2 | 44% | 0.435 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.5 | -46.7 | 175.5 | -175.3 | 177.6 | -153.4 | 0 | 0 | 111.8 | L1350 A1352 A1356 H1357 W1359 L1362 | L1350-E1354 WeakPolarHBondContact O-CB 3.4Å; L1350-E1354 PolarHBondContact O-N 3.32Å; A1352-E1354 VanDerWaalsContact C-N 3.35Å; E1354-A1356 PolarHBondContact O-N 3.19Å; E1354-H1357 PolarHBondContact O-N 3.48Å; E1354-H1357 VanDerWaalsContact O-N 3.12Å; E1354-W1359 HydrophobicContact CG-CZ3 4.32Å; E1354-L1362 HydrophobicContact CB-CD1 4.07Å; E1354-L1362 HydrophobicContact CB-CD2 4.17Å; E1354-L1362 HydrophobicContact CG-CD2 4.43Å |
| 1355 | Q | 88 | Confident | 89.3 | Confident | 155 Ų | 155 | 43.9 Ų | 43.9 | 72% | 0.724 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -62.7 | -31 | 175.4 | -75.5 | 174.9 | 6.1 | 0 | 0 | 113 | R1351 A1352 H1357 | R1351-Q1355 WeakPolarHBondContact O-CB 3.44Å; R1351-Q1355 VanDerWaalsContact O-CG 3.22Å; R1351-Q1355 WeakPolarHBondContact O-CG 3.47Å; R1351-Q1355 PolarHBondContact O-N 2.72Å; A1352-Q1355 PolarHBondContact O-N 3.06Å; Q1355-H1357 VanDerWaalsContact C-N 3.34Å |
| 1356 | A | 86.5 | Confident | 89.3 | Confident | 33 Ų | 33 | 41.7 Ų | 41.7 | 27% | 0.273 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 2.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1326 A1352 A1353 E1354 L1358 | S1326-A1356 VanDerWaalsContact O-CB 3.26Å; S1326-A1356 WeakPolarHBondContact O-CB 3.35Å; A1352-A1356 VanDerWaalsContact O-CB 3.3Å; A1352-A1356 WeakPolarHBondContact O-CB 3.4Å; A1352-A1356 PolarHBondContact O-N 2.98Å; A1353-A1356 CarbonylContact O-C 3.57Å; A1353-A1356 PolarHBondContact O-N 3.18Å; E1354-A1356 PolarHBondContact O-N 3.19Å; A1356-L1358 HydrophobicContact CB-CD1 4.11Å; A1356-L1358 HydrophobicContact CB-CG 3.92Å; A1356-L1358 PolarHBondContact O-N 2.99Å |
| 1357 | H | 87.7 | Confident | 89.3 | Confident | 121 Ų | 121 | 42.1 Ų | 42.1 | 56% | 0.56 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 33.7 | -176.2 | -56.1 | -48.5 | 0 | 0 | 0 | 114.1 | A1353 E1354 Q1355 W1359 | A1353-H1357 PolarHBondContact O-N 3.48Å; A1353-H1357 VanDerWaalsContact O-N 3.11Å; E1354-H1357 PolarHBondContact O-N 3.48Å; E1354-H1357 VanDerWaalsContact O-N 3.12Å; Q1355-H1357 VanDerWaalsContact C-N 3.34Å; H1357-W1359 HydrophobicContact CB-CZ2 3.96Å; H1357-W1359 AromaticContact CG-CZ2 3.94Å; H1357-W1359 AromaticContact ND1-CH2 3.75Å; H1357-W1359 AromaticContact ND1-CZ2 3.25Å; H1357-W1359 WeakPolarHBondContact ND1-CZ2 3.47Å; H1357-W1359 PolarHBondContact O-N 3.39Å; H1357-W1359 PolarHBondContact O-NE1 3.37Å |
| 1358 | L | 88.5 | Confident | 89.2 | Confident | 23 Ų | 23 | 43.6 Ų | 43.6 | 12% | 0.12 | 20% | 0.204 | C | C | . | . | trans | -88.8 | 71.9 | 177.8 | -61.9 | 179.9 | 0 | 0 | 0 | 110.6 | P1330 M1333 A1353 A1356 S1360 E1361 L1362 | P1330-L1358 HydrophobicContact CB-CD1 4.24Å; P1330-L1358 HydrophobicContact CB-CD2 3.69Å; M1333-L1358 HydrophobicContact CB-CD1 4.34Å; M1333-L1358 HydrophobicContact CG-CD1 3.84Å; A1353-L1358 HydrophobicContact CB-CB 4.34Å; A1353-L1358 PolarHBondContact O-N 2.98Å; A1356-L1358 HydrophobicContact CB-CD1 4.11Å; A1356-L1358 HydrophobicContact CB-CG 3.92Å; A1356-L1358 PolarHBondContact O-N 2.99Å; L1358-S1360 VanDerWaalsContact C-N 3.34Å; L1358-S1360 PolarHBondContact O-N 2.78Å; L1358-E1361 HydrophobicContact CB-CB 4.19Å; L1358-E1361 PolarHBondContact O-N 3.35Å; L1358-L1362 WeakPolarHBondContact O-CB 3.3Å; L1358-L1362 PolarHBondContact O-N 2.85Å | ||
| 1359 | W | 89 | Confident | 89.2 | Confident | 33 Ų | 33 | 44.8 Ų | 44.8 | 13% | 0.125 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.3 | -33.8 | -168.9 | -53.4 | 117.1 | 0 | 0 | 0 | 113.3 | E1354 H1357 L1362 V1363 T1378 H1382 E1385 | E1354-W1359 HydrophobicContact CG-CZ3 4.32Å; H1357-W1359 HydrophobicContact CB-CZ2 3.96Å; H1357-W1359 AromaticContact CG-CZ2 3.94Å; H1357-W1359 AromaticContact ND1-CH2 3.75Å; H1357-W1359 AromaticContact ND1-CZ2 3.25Å; H1357-W1359 WeakPolarHBondContact ND1-CZ2 3.47Å; H1357-W1359 PolarHBondContact O-N 3.39Å; H1357-W1359 PolarHBondContact O-NE1 3.37Å; W1359-L1362 HydrophobicContact CE3-CD2 3.78Å; W1359-L1362 HydrophobicContact CZ3-CD2 3.88Å; W1359-L1362 PolarHBondContact O-N 2.84Å; W1359-V1363 WeakPolarHBondContact O-CB 3.45Å; W1359-V1363 WeakPolarHBondContact O-CG2 3.3Å; W1359-V1363 PolarHBondContact O-N 2.84Å; W1359-T1378 HydrophobicContact CB-CG2 4.5Å; W1359-T1378 HydrophobicContact CE3-CG2 3.91Å; W1359-H1382 HydrophobicContact CB-CB 3.92Å; W1359-H1382 AromaticContact CD1-CG 3.68Å; W1359-H1382 AromaticContact CD1-ND1 3.99Å; W1359-H1382 HydrophobicContact CD2-CB 4.08Å; W1359-H1382 AromaticContact CD2-CD2 3.31Å; W1359-H1382 AromaticContact CD2-CG 3.51Å; W1359-H1382 AromaticContact CD2-NE2 3.83Å; W1359-H1382 AromaticContact CE2-CD2 3.56Å; W1359-H1382 AromaticContact CE2-CE1 3.61Å; W1359-H1382 AromaticContact CE2-CG 3.58Å; W1359-H1382 AromaticContact CE2-ND1 3.6Å; W1359-H1382 AromaticContact CE2-NE2 3.64Å; W1359-H1382 AromaticContact CE3-CD2 3.44Å; W1359-H1382 VanDerWaalsContact CE3-CD2 3.44Å; W1359-H1382 AromaticContact CE3-NE2 3.86Å; W1359-H1382 HydrophobicContact CG-CB 3.61Å; W1359-H1382 AromaticContact CG-CD2 3.82Å; W1359-H1382 AromaticContact CG-CG 3.59Å; W1359-H1382 AromaticContact CH2-CE1 3.98Å; W1359-H1382 AromaticContact CH2-NE2 3.52Å; W1359-H1382 AromaticContact CZ2-CD2 3.91Å; W1359-H1382 AromaticContact CZ2-CE1 3.5Å; W1359-H1382 AromaticContact CZ2-ND1 3.98Å; W1359-H1382 AromaticContact CZ2-NE2 3.49Å; W1359-H1382 WeakPolarHBondContact CZ2-NE2 3.42Å; W1359-H1382 AromaticContact CZ3-CD2 3.79Å; W1359-H1382 AromaticContact CZ3-NE2 3.71Å; W1359-H1382 AromaticContact NE1-CG 3.68Å; W1359-H1382 AromaticContact NE1-ND1 3.58Å; W1359-E1385 HydrophobicContact CB-CB 4.29Å; W1359-E1385 VanDerWaalsContact CD1-OE2 3.23Å |
| 1360 | S | 86.8 | Confident | 89 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.4 | -36.2 | -179.2 | 92.2 | 0 | 0 | 0 | 0 | 112.4 | R1334 L1358 F1364 E1385 | R1334-S1360 PolarHBondContact NH1-O 3.37Å; L1358-S1360 VanDerWaalsContact C-N 3.34Å; L1358-S1360 PolarHBondContact O-N 2.78Å; S1360-F1364 PolarHBondContact O-N 2.86Å; S1360-E1385 WeakPolarHBondContact CB-O 3.25Å |
| 1361 | E | 88.1 | Confident | 88.9 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -75.4 | -39.5 | 176 | -68.6 | 73.5 | -166.3 | 0 | 0 | 110.5 | M1333 R1334 L1337 L1358 V1363 F1364 L1365 | M1333-E1361 HydrophobicContact CB-CG 4.5Å; M1333-E1361 HydrophobicContact CE-CB 4.29Å; M1333-E1361 HydrophobicContact CG-CG 4.15Å; R1334-E1361 HydrophobicContact CB-CG 4.49Å; L1337-E1361 HydrophobicContact CD1-CB 4.03Å; L1337-E1361 HydrophobicContact CD1-CG 4.42Å; L1358-E1361 HydrophobicContact CB-CB 4.19Å; L1358-E1361 PolarHBondContact O-N 3.35Å; E1361-V1363 VanDerWaalsContact C-N 3.34Å; E1361-V1363 PolarHBondContact O-N 2.92Å; E1361-F1364 WeakPolarHBondContact O-CB 3.45Å; E1361-F1364 PolarHBondContact O-N 3.41Å; E1361-L1365 WeakPolarHBondContact O-CG 3.13Å; E1361-L1365 PolarHBondContact O-N 2.71Å |
| 1362 | L | 89.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 175 | -166.8 | 72.5 | 0 | 0 | 0 | 111.1 | L1350 A1353 E1354 L1358 W1359 F1364 L1365 Y1366 T1378 | L1350-L1362 HydrophobicContact CB-CD1 4.27Å; L1350-L1362 HydrophobicContact CD2-CD1 3.54Å; L1350-L1362 HydrophobicContact CD2-CG 4.28Å; L1350-L1362 WeakPolarHBondContact O-CD1 3.31Å; A1353-L1362 HydrophobicContact CB-CB 4.48Å; A1353-L1362 HydrophobicContact CB-CD1 4.01Å; E1354-L1362 HydrophobicContact CB-CD1 4.07Å; E1354-L1362 HydrophobicContact CB-CD2 4.17Å; E1354-L1362 HydrophobicContact CG-CD2 4.43Å; L1358-L1362 WeakPolarHBondContact O-CB 3.3Å; L1358-L1362 PolarHBondContact O-N 2.85Å; W1359-L1362 HydrophobicContact CE3-CD2 3.78Å; W1359-L1362 HydrophobicContact CZ3-CD2 3.88Å; W1359-L1362 PolarHBondContact O-N 2.84Å; L1362-F1364 VanDerWaalsContact C-N 3.34Å; L1362-F1364 PolarHBondContact O-N 3.44Å; L1362-L1365 PolarHBondContact O-N 2.9Å; L1362-Y1366 HydrophobicContact CD1-CE2 4.14Å; L1362-Y1366 HydrophobicContact CD2-CE2 3.83Å; L1362-Y1366 HydrophobicContact CG-CD2 4.01Å; L1362-Y1366 HydrophobicContact CG-CE2 3.57Å; L1362-Y1366 WeakPolarHBondContact O-CD2 3.32Å; L1362-Y1366 PolarHBondContact O-N 3.31Å; L1362-T1378 HydrophobicContact CD2-CG2 3.85Å |
| 1363 | V | 89.3 | Confident | 89 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.7 | -42.7 | 174.5 | 166.3 | 0 | 0 | 0 | 0 | 111.7 | W1359 E1361 L1365 Y1366 D1367 T1378 M1379 | W1359-V1363 WeakPolarHBondContact O-CB 3.45Å; W1359-V1363 WeakPolarHBondContact O-CG2 3.3Å; W1359-V1363 PolarHBondContact O-N 2.84Å; E1361-V1363 VanDerWaalsContact C-N 3.34Å; E1361-V1363 PolarHBondContact O-N 2.92Å; V1363-L1365 VanDerWaalsContact C-N 3.34Å; V1363-L1365 PolarHBondContact O-N 3.46Å; V1363-Y1366 PolarHBondContact O-N 2.73Å; V1363-D1367 WeakPolarHBondContact O-CB 3.17Å; V1363-D1367 PolarHBondContact O-N 2.89Å; V1363-T1378 HydrophobicContact CG2-CG2 3.8Å; V1363-M1379 HydrophobicContact CB-CG 4.45Å; V1363-M1379 HydrophobicContact CG1-CE 3.21Å; V1363-M1379 HydrophobicContact CG1-CG 3.84Å; V1363-M1379 HydrophobicContact CG1-SD 4.25Å; V1363-M1379 HydrophobicContact CG2-CG 3.66Å |
| 1364 | F | 89 | Confident | 89 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 175.7 | 173.2 | -89.5 | 0 | 0 | 0 | 112.2 | L1337 E1338 W1341 S1360 E1361 L1362 D1367 K1368 | L1337-F1364 HydrophobicContact CB-CD1 4.03Å; L1337-F1364 HydrophobicContact CB-CE1 3.77Å; L1337-F1364 HydrophobicContact CD1-CD1 4.03Å; E1338-F1364 HydrophobicContact CG-CE2 4.18Å; E1338-F1364 HydrophobicContact CG-CZ 4.2Å; W1341-F1364 HydrophobicContact CB-CE1 4.01Å; W1341-F1364 HydrophobicContact CB-CZ 4.5Å; W1341-F1364 HydrophobicContact CG-CE1 4.4Å; W1341-F1364 HydrophobicContact CG-CZ 4.44Å; S1360-F1364 PolarHBondContact O-N 2.86Å; E1361-F1364 WeakPolarHBondContact O-CB 3.45Å; E1361-F1364 PolarHBondContact O-N 3.41Å; L1362-F1364 VanDerWaalsContact C-N 3.34Å; L1362-F1364 PolarHBondContact O-N 3.44Å; F1364-D1367 PolarHBondContact O-N 3.45Å; F1364-K1368 HydrophobicContact CD1-CG 4.36Å; F1364-K1368 HydrophobicContact CE1-CG 3.94Å; F1364-K1368 HydrophobicContact CE2-CG 4.28Å; F1364-K1368 HydrophobicContact CZ-CD 4.49Å; F1364-K1368 HydrophobicContact CZ-CG 3.91Å; F1364-K1368 WeakPolarHBondContact O-CG 3.16Å; F1364-K1368 PolarHBondContact O-N 3.32Å |
| 1365 | L | 91.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -43.5 | 177.5 | -72.9 | 173.2 | 0 | 0 | 0 | 112.1 | L1337 I1346 V1349 L1350 A1353 E1361 L1362 V1363 D1367 K1368 Y1369 | L1337-L1365 HydrophobicContact CD1-CD1 4Å; L1337-L1365 HydrophobicContact CD1-CD2 3.79Å; L1337-L1365 HydrophobicContact CD1-CG 3.69Å; L1337-L1365 HydrophobicContact CD2-CD2 3.75Å; L1337-L1365 HydrophobicContact CG-CD2 4.37Å; I1346-L1365 HydrophobicContact CG2-CB 4.25Å; I1346-L1365 HydrophobicContact CG2-CD2 4.18Å; V1349-L1365 HydrophobicContact CB-CD1 4.1Å; V1349-L1365 HydrophobicContact CG1-CD1 3.69Å; L1350-L1365 HydrophobicContact CD2-CB 3.4Å; L1350-L1365 HydrophobicContact CD2-CD1 4.07Å; L1350-L1365 HydrophobicContact CD2-CG 4.39Å; L1350-L1365 HydrophobicContact CG-CB 4.04Å; L1350-L1365 HydrophobicContact CG-CD1 4.3Å; A1353-L1365 HydrophobicContact CB-CD1 4.44Å; E1361-L1365 WeakPolarHBondContact O-CG 3.13Å; E1361-L1365 PolarHBondContact O-N 2.71Å; L1362-L1365 PolarHBondContact O-N 2.9Å; V1363-L1365 VanDerWaalsContact C-N 3.34Å; V1363-L1365 PolarHBondContact O-N 3.46Å; L1365-D1367 VanDerWaalsContact C-N 3.34Å; L1365-D1367 PolarHBondContact O-N 3.36Å; L1365-K1368 PolarHBondContact O-N 3.49Å; L1365-Y1369 VanDerWaalsContact O-CB 3.27Å; L1365-Y1369 WeakPolarHBondContact O-CB 3.46Å; L1365-Y1369 PolarHBondContact O-N 3.06Å |
| 1366 | Y | 91.8 | Very high | 89.3 | Confident | 25 Ų | 25 | 41.7 Ų | 41.7 | 10% | 0.098 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 176.4 | -75.6 | -48.9 | 0 | 0 | 0 | 112.4 | L1350 L1362 V1363 Y1369 E1370 E1371 N1374 | L1350-Y1366 HydrophobicContact CD1-CD1 3.95Å; L1350-Y1366 HydrophobicContact CD1-CE1 3.75Å; L1350-Y1366 HydrophobicContact CD2-CD1 3.69Å; L1350-Y1366 HydrophobicContact CD2-CD2 4.28Å; L1350-Y1366 HydrophobicContact CD2-CE1 3.64Å; L1350-Y1366 HydrophobicContact CD2-CE2 4.25Å; L1350-Y1366 HydrophobicContact CD2-CG 4Å; L1350-Y1366 HydrophobicContact CG-CE1 4.29Å; L1362-Y1366 HydrophobicContact CD1-CE2 4.14Å; L1362-Y1366 HydrophobicContact CD2-CE2 3.83Å; L1362-Y1366 HydrophobicContact CG-CD2 4.01Å; L1362-Y1366 HydrophobicContact CG-CE2 3.57Å; L1362-Y1366 WeakPolarHBondContact O-CD2 3.32Å; L1362-Y1366 PolarHBondContact O-N 3.31Å; V1363-Y1366 PolarHBondContact O-N 2.73Å; Y1366-Y1369 CarbonylContact O-C 3.58Å; Y1366-Y1369 PolarHBondContact O-N 2.87Å; Y1366-E1370 PolarHBondContact O-N 3.17Å; Y1366-E1370 VanDerWaalsContact O-N 3.09Å; Y1366-E1371 HydrophobicContact CD1-CB 3.92Å; Y1366-E1371 WeakPolarHBondContact CD1-OE2 3.39Å; Y1366-E1371 WeakPolarHBondContact CE1-OE2 3.44Å; Y1366-E1371 PolarHBondContact O-N 3.39Å; Y1366-N1374 HydrophobicContact CD1-CB 3.71Å; Y1366-N1374 HydrophobicContact CD2-CB 4.02Å; Y1366-N1374 HydrophobicContact CE1-CB 3.61Å; Y1366-N1374 HydrophobicContact CE2-CB 3.91Å; Y1366-N1374 HydrophobicContact CG-CB 3.94Å |
| 1367 | D | 89.7 | Confident | 89.5 | Confident | 28 Ų | 28 | 43.3 Ų | 43.3 | 15% | 0.15 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.7 | -49.1 | 173.3 | 179 | 17.1 | 0 | 0 | 0 | 111.3 | V1363 F1364 L1365 Y1369 E1370 H1391 L1395 | V1363-D1367 WeakPolarHBondContact O-CB 3.17Å; V1363-D1367 PolarHBondContact O-N 2.89Å; F1364-D1367 PolarHBondContact O-N 3.45Å; L1365-D1367 VanDerWaalsContact C-N 3.34Å; L1365-D1367 PolarHBondContact O-N 3.36Å; D1367-Y1369 VanDerWaalsContact C-N 3.26Å; D1367-Y1369 PolarHBondContact O-N 3.18Å; D1367-E1370 PolarHBondContact O-N 3.36Å; D1367-E1370 VanDerWaalsContact O-N 3.13Å; D1367-H1391 IonicContact OD2-CD2 3.63Å; D1367-H1391 IonicContact OD2-CE1 3.64Å; D1367-H1391 IonicContact OD2-NE2 3.48Å; D1367-H1391 PolarHBondContact OD2-NE2 3.23Å; D1367-L1395 HydrophobicContact CB-CD1 4.36Å; D1367-L1395 HydrophobicContact CB-CD2 4.24Å; D1367-L1395 WeakPolarHBondContact OD1-CD2 3.28Å |
| 1368 | K | 89.7 | Confident | 89.5 | Confident | 82 Ų | 82 | 38.2 Ų | 38.2 | 36% | 0.357 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -68.9 | -21 | 177.8 | -63.7 | -54 | 175.9 | -159.2 | 0 | 114.5 | W1341 F1364 L1365 | W1341-K1368 HydrophobicContact CD2-CB 4.25Å; W1341-K1368 HydrophobicContact CD2-CD 4.31Å; W1341-K1368 HydrophobicContact CD2-CG 4.1Å; W1341-K1368 HydrophobicContact CE3-CB 3.83Å; W1341-K1368 HydrophobicContact CE3-CG 4.2Å; W1341-K1368 HydrophobicContact CG-CG 4.35Å; W1341-K1368 HydrophobicContact CZ2-CD 4.44Å; W1341-K1368 HydrophobicContact CZ3-CB 4.19Å; F1364-K1368 HydrophobicContact CD1-CG 4.36Å; F1364-K1368 HydrophobicContact CE1-CG 3.94Å; F1364-K1368 HydrophobicContact CE2-CG 4.28Å; F1364-K1368 HydrophobicContact CZ-CD 4.49Å; F1364-K1368 HydrophobicContact CZ-CG 3.91Å; F1364-K1368 WeakPolarHBondContact O-CG 3.16Å; F1364-K1368 PolarHBondContact O-N 3.32Å; L1365-K1368 PolarHBondContact O-N 3.49Å |
| 1369 | Y | 90.4 | Very high | 89.6 | Confident | 103 Ų | 103 | 37.1 Ų | 37.1 | 40% | 0.404 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 4.2 | 175.4 | -158.4 | -123.2 | 0 | 0 | 0 | 113 | I1346 P1347 L1350 L1365 Y1366 D1367 E1371 | I1346-Y1369 HydrophobicContact CB-CD2 4.07Å; I1346-Y1369 HydrophobicContact CB-CG 4.5Å; I1346-Y1369 HydrophobicContact CD1-CD2 3.92Å; I1346-Y1369 HydrophobicContact CG2-CD2 4.02Å; I1346-Y1369 HydrophobicContact CG2-CG 3.94Å; P1347-Y1369 HydrophobicContact CG-CE1 4.38Å; P1347-Y1369 HydrophobicContact CG-CE2 4.38Å; L1350-Y1369 HydrophobicContact CD1-CD1 4.48Å; L1365-Y1369 VanDerWaalsContact O-CB 3.27Å; L1365-Y1369 WeakPolarHBondContact O-CB 3.46Å; L1365-Y1369 PolarHBondContact O-N 3.06Å; Y1366-Y1369 CarbonylContact O-C 3.58Å; Y1366-Y1369 PolarHBondContact O-N 2.87Å; D1367-Y1369 VanDerWaalsContact C-N 3.26Å; D1367-Y1369 PolarHBondContact O-N 3.18Å; Y1369-E1371 HydrophobicContact CD1-CG 3.71Å; Y1369-E1371 WeakPolarHBondContact CD1-OE1 3.5Å; Y1369-E1371 HydrophobicContact CE1-CG 4.27Å; Y1369-E1371 VanDerWaalsContact CE1-OE1 3.24Å; Y1369-E1371 WeakPolarHBondContact CE1-OE1 3.45Å; Y1369-E1371 PolarHBondContact O-N 2.91Å; Y1369-E1371 VanDerWaalsContact O-N 3.16Å |
| 1370 | E | 88.3 | Confident | 89.6 | Confident | 145 Ų | 145 | 36.8 Ų | 36.8 | 68% | 0.678 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 18.4 | -179.5 | -51.6 | -175.4 | 159.4 | 0 | 0 | 114.2 | Y1366 D1367 Y1372 | Y1366-E1370 PolarHBondContact O-N 3.17Å; Y1366-E1370 VanDerWaalsContact O-N 3.09Å; D1367-E1370 PolarHBondContact O-N 3.36Å; D1367-E1370 VanDerWaalsContact O-N 3.13Å; E1370-Y1372 VanDerWaalsContact C-N 3.27Å; E1370-Y1372 HydrophobicContact CB-CE2 4.18Å; E1370-Y1372 PolarHBondContact O-N 3.27Å; E1370-Y1372 VanDerWaalsContact O-N 3.14Å |
| 1371 | E | 88.2 | Confident | 89.6 | Confident | 68 Ų | 68 | 38.9 Ų | 38.9 | 32% | 0.318 | 19% | 0.189 | S | C | . | . | trans | -89.1 | 62.7 | 173.7 | -74.5 | -170.8 | -176.2 | 0 | 0 | 110.5 | Y1366 Y1369 D1373 N1374 A1375 | Y1366-E1371 HydrophobicContact CD1-CB 3.92Å; Y1366-E1371 WeakPolarHBondContact CD1-OE2 3.39Å; Y1366-E1371 WeakPolarHBondContact CE1-OE2 3.44Å; Y1366-E1371 PolarHBondContact O-N 3.39Å; Y1369-E1371 HydrophobicContact CD1-CG 3.71Å; Y1369-E1371 WeakPolarHBondContact CD1-OE1 3.5Å; Y1369-E1371 HydrophobicContact CE1-CG 4.27Å; Y1369-E1371 VanDerWaalsContact CE1-OE1 3.24Å; Y1369-E1371 WeakPolarHBondContact CE1-OE1 3.45Å; Y1369-E1371 PolarHBondContact O-N 2.91Å; Y1369-E1371 VanDerWaalsContact O-N 3.16Å; E1371-D1373 VanDerWaalsContact C-N 3.26Å; E1371-D1373 PolarHBondContact O-N 3.39Å; E1371-N1374 HydrophobicContact CB-CB 4.33Å; E1371-N1374 PolarHBondContact O-N 2.87Å; E1371-N1374 VanDerWaalsContact O-N 3.15Å; E1371-N1374 PolarHBondContact OE2-ND2 2.98Å; E1371-A1375 PolarHBondContact O-N 3.16Å | ||
| 1372 | Y | 90.7 | Very high | 89.5 | Confident | 42 Ų | 42 | 40.4 Ų | 40.4 | 17% | 0.165 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.9 | -35.5 | -174.8 | -52.8 | -55.9 | 0 | 0 | 0 | 113.4 | E1370 N1374 A1375 I1376 L1395 R1398 | E1370-Y1372 VanDerWaalsContact C-N 3.27Å; E1370-Y1372 HydrophobicContact CB-CE2 4.18Å; E1370-Y1372 PolarHBondContact O-N 3.27Å; E1370-Y1372 VanDerWaalsContact O-N 3.14Å; Y1372-N1374 VanDerWaalsContact C-N 3.35Å; Y1372-N1374 PolarHBondContact O-N 3.42Å; Y1372-A1375 PolarHBondContact O-N 3.02Å; Y1372-I1376 WeakPolarHBondContact O-CB 3.09Å; Y1372-I1376 VanDerWaalsContact O-CG1 3.31Å; Y1372-I1376 WeakPolarHBondContact O-CG1 3.43Å; Y1372-I1376 PolarHBondContact O-N 3.32Å; Y1372-L1395 HydrophobicContact CD1-CD2 3.75Å; Y1372-L1395 HydrophobicContact CE1-CD2 4Å; Y1372-R1398 HydrophobicContact CD2-CB 3.65Å; Y1372-R1398 HydrophobicContact CE2-CB 3.85Å; Y1372-R1398 HydrophobicContact CG-CB 4.02Å |
| 1373 | D | 90.5 | Very high | 89.1 | Confident | 42 Ų | 42 | 41.6 Ų | 41.6 | 23% | 0.225 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.5 | -45.9 | 177.8 | -73.3 | 29.3 | 0 | 0 | 0 | 111.2 | E1371 I1376 L1377 V1399 A1400 N1401 L1404 | E1371-D1373 VanDerWaalsContact C-N 3.26Å; E1371-D1373 PolarHBondContact O-N 3.39Å; D1373-I1376 PolarHBondContact O-N 3.34Å; D1373-L1377 WeakPolarHBondContact O-CB 3.21Å; D1373-L1377 VanDerWaalsContact O-CG 3.31Å; D1373-L1377 WeakPolarHBondContact O-CG 3.28Å; D1373-L1377 PolarHBondContact O-N 3.36Å; D1373-V1399 WeakPolarHBondContact OD1-CA 3.38Å; D1373-V1399 WeakPolarHBondContact OD1-CB 3.27Å; D1373-A1400 PolarHBondContact OD1-N 2.97Å; D1373-N1401 WeakPolarHBondContact OD2-CB 3.44Å; D1373-N1401 PolarHBondContact OD2-N 3.42Å; D1373-L1404 HydrophobicContact CB-CD1 3.67Å |
| 1374 | N | 89.3 | Confident | 88.7 | Confident | 62 Ų | 62 | 47 Ų | 47 | 33% | 0.332 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.7 | -41.7 | 177.8 | -69.4 | -26.8 | 0 | 0 | 0 | 111.1 | Y1366 E1371 Y1372 I1376 L1377 T1378 | Y1366-N1374 HydrophobicContact CD1-CB 3.71Å; Y1366-N1374 HydrophobicContact CD2-CB 4.02Å; Y1366-N1374 HydrophobicContact CE1-CB 3.61Å; Y1366-N1374 HydrophobicContact CE2-CB 3.91Å; Y1366-N1374 HydrophobicContact CG-CB 3.94Å; E1371-N1374 HydrophobicContact CB-CB 4.33Å; E1371-N1374 PolarHBondContact O-N 2.87Å; E1371-N1374 VanDerWaalsContact O-N 3.15Å; E1371-N1374 PolarHBondContact OE2-ND2 2.98Å; Y1372-N1374 VanDerWaalsContact C-N 3.35Å; Y1372-N1374 PolarHBondContact O-N 3.42Å; N1374-I1376 VanDerWaalsContact C-N 3.32Å; N1374-I1376 PolarHBondContact O-N 3.2Å; N1374-L1377 PolarHBondContact O-N 3.33Å; N1374-T1378 WeakPolarHBondContact O-CB 3.37Å; N1374-T1378 PolarHBondContact O-N 2.89Å; N1374-T1378 PolarHBondContact O-OG1 2.92Å |
| 1375 | A | 89.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.1 | -48.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1371 Y1372 T1378 M1379 L1395 | E1371-A1375 PolarHBondContact O-N 3.16Å; Y1372-A1375 PolarHBondContact O-N 3.02Å; A1375-T1378 PolarHBondContact O-N 3.23Å; A1375-M1379 WeakPolarHBondContact O-CB 3.5Å; A1375-M1379 VanDerWaalsContact O-CG 3.26Å; A1375-M1379 WeakPolarHBondContact O-CG 3.34Å; A1375-M1379 PolarHBondContact O-N 3.44Å; A1375-L1395 HydrophobicContact CB-CD1 3.88Å |
| 1376 | I | 91 | Very high | 87.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.3 | -43.5 | -179.7 | -72.9 | -63.8 | 0 | 0 | 0 | 111.6 | Y1372 D1373 N1374 T1378 M1379 M1380 F1392 L1395 I1396 V1399 L1404 | Y1372-I1376 WeakPolarHBondContact O-CB 3.09Å; Y1372-I1376 VanDerWaalsContact O-CG1 3.31Å; Y1372-I1376 WeakPolarHBondContact O-CG1 3.43Å; Y1372-I1376 PolarHBondContact O-N 3.32Å; D1373-I1376 PolarHBondContact O-N 3.34Å; N1374-I1376 VanDerWaalsContact C-N 3.32Å; N1374-I1376 PolarHBondContact O-N 3.2Å; I1376-T1378 VanDerWaalsContact C-N 3.34Å; I1376-T1378 PolarHBondContact O-N 3.27Å; I1376-M1379 HydrophobicContact CD1-SD 4.23Å; I1376-M1379 PolarHBondContact O-N 2.89Å; I1376-M1380 HydrophobicContact CG2-CE 3.63Å; I1376-M1380 HydrophobicContact CG2-SD 4.34Å; I1376-M1380 WeakPolarHBondContact O-CG 3.38Å; I1376-M1380 PolarHBondContact O-N 3.48Å; I1376-F1392 HydrophobicContact CD1-CD1 4.42Å; I1376-F1392 HydrophobicContact CD1-CD2 3.66Å; I1376-F1392 HydrophobicContact CD1-CE1 4.36Å; I1376-F1392 HydrophobicContact CD1-CE2 3.59Å; I1376-F1392 HydrophobicContact CD1-CG 4.09Å; I1376-F1392 HydrophobicContact CD1-CZ 3.97Å; I1376-F1392 HydrophobicContact CG2-CE2 4.11Å; I1376-F1392 HydrophobicContact CG2-CZ 4.17Å; I1376-L1395 HydrophobicContact CD1-CB 3.85Å; I1376-L1395 HydrophobicContact CG1-CB 4.21Å; I1376-I1396 HydrophobicContact CB-CD1 4.42Å; I1376-I1396 HydrophobicContact CD1-CB 3.95Å; I1376-I1396 HydrophobicContact CD1-CD1 4.03Å; I1376-I1396 HydrophobicContact CG1-CD1 4.01Å; I1376-I1396 HydrophobicContact CG2-CD1 3.61Å; I1376-V1399 HydrophobicContact CB-CG1 4.37Å; I1376-V1399 HydrophobicContact CG1-CG1 3.78Å; I1376-L1404 HydrophobicContact CG2-CB 4.47Å |
| 1377 | L | 90.5 | Very high | 87.1 | Confident | 67 Ų | 67 | 51.9 Ų | 51.9 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 175.8 | -75.9 | 170.6 | 0 | 0 | 0 | 111.6 | D1373 N1374 M1380 S1381 L1404 K1407 | D1373-L1377 WeakPolarHBondContact O-CB 3.21Å; D1373-L1377 VanDerWaalsContact O-CG 3.31Å; D1373-L1377 WeakPolarHBondContact O-CG 3.28Å; D1373-L1377 PolarHBondContact O-N 3.36Å; N1374-L1377 PolarHBondContact O-N 3.33Å; L1377-M1380 HydrophobicContact CD2-CE 3.98Å; L1377-M1380 PolarHBondContact O-N 3.3Å; L1377-S1381 PolarHBondContact O-N 3.25Å; L1377-S1381 PolarHBondContact O-OG 2.53Å; L1377-L1404 HydrophobicContact CD1-CD2 4.32Å; L1377-L1404 HydrophobicContact CD2-CD2 3.57Å; L1377-L1404 HydrophobicContact CG-CD2 3.8Å; L1377-K1407 HydrophobicContact CD2-CD 4.41Å |
| 1378 | T | 89.2 | Confident | 86.8 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64 | -43.4 | 176 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | W1359 L1362 V1363 N1374 A1375 I1376 M1380 S1381 H1382 | W1359-T1378 HydrophobicContact CB-CG2 4.5Å; W1359-T1378 HydrophobicContact CE3-CG2 3.91Å; L1362-T1378 HydrophobicContact CD2-CG2 3.85Å; V1363-T1378 HydrophobicContact CG2-CG2 3.8Å; N1374-T1378 WeakPolarHBondContact O-CB 3.37Å; N1374-T1378 PolarHBondContact O-N 2.89Å; N1374-T1378 PolarHBondContact O-OG1 2.92Å; A1375-T1378 PolarHBondContact O-N 3.23Å; I1376-T1378 VanDerWaalsContact C-N 3.34Å; I1376-T1378 PolarHBondContact O-N 3.27Å; T1378-M1380 VanDerWaalsContact C-N 3.28Å; T1378-M1380 PolarHBondContact O-N 3Å; T1378-S1381 PolarHBondContact O-N 3.08Å; T1378-S1381 PolarHBondContact O-OG 3.27Å; T1378-H1382 PolarHBondContact O-N 3.45Å |
| 1379 | M | 89.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60 | -38.2 | 175.8 | -74.9 | -179.4 | 167.9 | 0 | 0 | 111.9 | V1363 A1375 I1376 P1383 H1391 F1392 L1395 | V1363-M1379 HydrophobicContact CB-CG 4.45Å; V1363-M1379 HydrophobicContact CG1-CE 3.21Å; V1363-M1379 HydrophobicContact CG1-CG 3.84Å; V1363-M1379 HydrophobicContact CG1-SD 4.25Å; V1363-M1379 HydrophobicContact CG2-CG 3.66Å; A1375-M1379 WeakPolarHBondContact O-CB 3.5Å; A1375-M1379 VanDerWaalsContact O-CG 3.26Å; A1375-M1379 WeakPolarHBondContact O-CG 3.34Å; A1375-M1379 PolarHBondContact O-N 3.44Å; I1376-M1379 HydrophobicContact CD1-SD 4.23Å; I1376-M1379 PolarHBondContact O-N 2.89Å; M1379-P1383 WeakPolarHBondContact O-CA 3.18Å; M1379-H1391 HydrophobicContact CE-CB 4.12Å; M1379-H1391 WeakPolarHBondContact CE-ND1 3.4Å; M1379-F1392 HydrophobicContact CB-CD2 3.92Å; M1379-F1392 HydrophobicContact CB-CE2 4.17Å; M1379-F1392 HydrophobicContact CG-CD2 4.42Å; M1379-F1392 HydrophobicContact SD-CB 4.04Å; M1379-F1392 HydrophobicContact SD-CD2 3.54Å; M1379-F1392 VanDerWaalsContact SD-CD2 3.54Å; M1379-F1392 HydrophobicContact SD-CE2 4.45Å; M1379-F1392 HydrophobicContact SD-CG 4.23Å; M1379-L1395 HydrophobicContact CE-CD1 3.61Å; M1379-L1395 HydrophobicContact SD-CD1 4.29Å |
| 1380 | M | 88.9 | Confident | 86 | Confident | 26 Ų | 26 | 57.1 Ų | 57.1 | 13% | 0.128 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -75.1 | -35.3 | 178.5 | -70.4 | -173.2 | -64.2 | 0 | 0 | 113.1 | I1376 L1377 T1378 F1392 L1404 K1407 A1408 F1411 | I1376-M1380 HydrophobicContact CG2-CE 3.63Å; I1376-M1380 HydrophobicContact CG2-SD 4.34Å; I1376-M1380 WeakPolarHBondContact O-CG 3.38Å; I1376-M1380 PolarHBondContact O-N 3.48Å; L1377-M1380 HydrophobicContact CD2-CE 3.98Å; L1377-M1380 PolarHBondContact O-N 3.3Å; T1378-M1380 VanDerWaalsContact C-N 3.28Å; T1378-M1380 PolarHBondContact O-N 3Å; M1380-F1392 HydrophobicContact CG-CE2 3.83Å; M1380-F1392 HydrophobicContact CG-CZ 4.09Å; M1380-F1392 HydrophobicContact SD-CZ 4.33Å; M1380-L1404 HydrophobicContact CE-CD2 4.41Å; M1380-K1407 HydrophobicContact CE-CB 3.97Å; M1380-K1407 HydrophobicContact SD-CB 4.1Å; M1380-A1408 HydrophobicContact SD-CB 4.19Å; M1380-F1411 HydrophobicContact CB-CD2 4.16Å; M1380-F1411 HydrophobicContact CB-CG 4.22Å; M1380-F1411 HydrophobicContact CG-CB 4.07Å; M1380-F1411 HydrophobicContact CG-CD1 3.96Å; M1380-F1411 HydrophobicContact CG-CD2 4.25Å; M1380-F1411 HydrophobicContact CG-CG 3.81Å; M1380-F1411 HydrophobicContact SD-CB 3.95Å; M1380-F1411 HydrophobicContact SD-CG 4.35Å |
| 1381 | S | 86.9 | Confident | 86 | Confident | 70 Ų | 70 | 52.6 Ų | 52.6 | 49% | 0.49 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -76.5 | -28.3 | 178.5 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | L1377 T1378 P1383 | L1377-S1381 PolarHBondContact O-N 3.25Å; L1377-S1381 PolarHBondContact O-OG 2.53Å; T1378-S1381 PolarHBondContact O-N 3.08Å; T1378-S1381 PolarHBondContact O-OG 3.27Å; S1381-P1383 VanDerWaalsContact C-CD 3.49Å; S1381-P1383 WeakPolarHBondContact O-CD 3.36Å |
| 1382 | H | 86 | Confident | 86 | Confident | 54 Ų | 54 | 49.4 Ų | 49.4 | 25% | 0.25 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -128.5 | 64.9 | -178 | -54.6 | -66.3 | 0 | 0 | 0 | 112.6 | W1359 T1378 T1384 E1385 G1386 | W1359-H1382 HydrophobicContact CB-CB 3.92Å; W1359-H1382 AromaticContact CD1-CG 3.68Å; W1359-H1382 AromaticContact CD1-ND1 3.99Å; W1359-H1382 HydrophobicContact CD2-CB 4.08Å; W1359-H1382 AromaticContact CD2-CD2 3.31Å; W1359-H1382 AromaticContact CD2-CG 3.51Å; W1359-H1382 AromaticContact CD2-NE2 3.83Å; W1359-H1382 AromaticContact CE2-CD2 3.56Å; W1359-H1382 AromaticContact CE2-CE1 3.61Å; W1359-H1382 AromaticContact CE2-CG 3.58Å; W1359-H1382 AromaticContact CE2-ND1 3.6Å; W1359-H1382 AromaticContact CE2-NE2 3.64Å; W1359-H1382 AromaticContact CE3-CD2 3.44Å; W1359-H1382 VanDerWaalsContact CE3-CD2 3.44Å; W1359-H1382 AromaticContact CE3-NE2 3.86Å; W1359-H1382 HydrophobicContact CG-CB 3.61Å; W1359-H1382 AromaticContact CG-CD2 3.82Å; W1359-H1382 AromaticContact CG-CG 3.59Å; W1359-H1382 AromaticContact CH2-CE1 3.98Å; W1359-H1382 AromaticContact CH2-NE2 3.52Å; W1359-H1382 AromaticContact CZ2-CD2 3.91Å; W1359-H1382 AromaticContact CZ2-CE1 3.5Å; W1359-H1382 AromaticContact CZ2-ND1 3.98Å; W1359-H1382 AromaticContact CZ2-NE2 3.49Å; W1359-H1382 WeakPolarHBondContact CZ2-NE2 3.42Å; W1359-H1382 AromaticContact CZ3-CD2 3.79Å; W1359-H1382 AromaticContact CZ3-NE2 3.71Å; W1359-H1382 AromaticContact NE1-CG 3.68Å; W1359-H1382 AromaticContact NE1-ND1 3.58Å; T1378-H1382 PolarHBondContact O-N 3.45Å; H1382-T1384 VanDerWaalsContact C-N 3.31Å; H1382-T1384 PolarHBondContact O-N 2.85Å; H1382-E1385 PolarHBondContact O-N 2.83Å; H1382-G1386 PolarHBondContact O-N 3.1Å |
| 1383 | P | 81.7 | Confident | 85.8 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -20.8 | -168.7 | 30 | -38 | 0 | 0 | 0 | 114.7 | M1379 S1381 E1385 W1387 F1411 Y1415 | M1379-P1383 WeakPolarHBondContact O-CA 3.18Å; S1381-P1383 VanDerWaalsContact C-CD 3.49Å; S1381-P1383 WeakPolarHBondContact O-CD 3.36Å; P1383-E1385 VanDerWaalsContact C-N 3.31Å; P1383-E1385 PolarHBondContact O-N 3.38Å; P1383-W1387 HydrophobicContact CB-CB 4.25Å; P1383-W1387 WeakPolarHBondContact O-CB 3.42Å; P1383-F1411 HydrophobicContact CB-CE2 3.66Å; P1383-F1411 HydrophobicContact CB-CZ 3.57Å; P1383-F1411 HydrophobicContact CG-CE2 4.04Å; P1383-F1411 HydrophobicContact CG-CZ 4.43Å; P1383-Y1415 HydrophobicContact CB-CD1 4.18Å; P1383-Y1415 HydrophobicContact CB-CD2 4.42Å; P1383-Y1415 HydrophobicContact CB-CE1 3.87Å; P1383-Y1415 HydrophobicContact CB-CE2 4.1Å; P1383-Y1415 HydrophobicContact CB-CG 4.47Å; P1383-Y1415 HydrophobicContact CG-CD2 4.19Å; P1383-Y1415 HydrophobicContact CG-CE2 3.86Å |
| 1384 | T | 79.7 | Confident | 85.6 | Confident | 115 Ų | 115 | 51.2 Ų | 51.2 | 71% | 0.706 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -27 | 179.2 | 45.3 | 0 | 0 | 0 | 0 | 113.3 | H1382 | H1382-T1384 VanDerWaalsContact C-N 3.31Å; H1382-T1384 PolarHBondContact O-N 2.85Å |
| 1385 | E | 78.9 | Confident | 85.5 | Confident | 106 Ų | 106 | 48.4 Ų | 48.4 | 50% | 0.495 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -41.3 | -171.8 | -65.4 | -179.6 | -161 | 0 | 0 | 112.7 | W1359 S1360 H1382 P1383 | W1359-E1385 HydrophobicContact CB-CB 4.29Å; W1359-E1385 VanDerWaalsContact CD1-OE2 3.23Å; S1360-E1385 WeakPolarHBondContact CB-O 3.25Å; H1382-E1385 PolarHBondContact O-N 2.83Å; P1383-E1385 VanDerWaalsContact C-N 3.31Å; P1383-E1385 PolarHBondContact O-N 3.38Å |
| 1386 | G | 76.3 | Confident | 85.6 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -23.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | H1382 | H1382-G1386 PolarHBondContact O-N 3.1Š|
| 1387 | W | 83.6 | Confident | 85.4 | Confident | 37 Ų | 37 | 50.8 Ų | 50.8 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | trans | -86.9 | 121.1 | -171.6 | -175.5 | 86.2 | 0 | 0 | 0 | 112.2 | P1383 E1389 F1392 F1411 Y1412 Y1415 K1416 L1419 | P1383-W1387 HydrophobicContact CB-CB 4.25Å; P1383-W1387 WeakPolarHBondContact O-CB 3.42Å; W1387-E1389 HydrophobicContact CH2-CB 3.84Å; W1387-E1389 HydrophobicContact CH2-CG 4.27Å; W1387-E1389 HydrophobicContact CZ2-CB 4.03Å; W1387-E1389 HydrophobicContact CZ2-CG 4.27Å; W1387-E1389 HydrophobicContact CZ3-CB 4.49Å; W1387-F1392 AromaticContact CD1-CD2 3.39Å; W1387-F1392 AromaticContact CD1-CG 3.74Å; W1387-F1392 AromaticContact NE1-CD2 3.57Å; W1387-F1392 AromaticContact NE1-CG 3.45Å; W1387-F1411 AromaticContact CD1-CE1 3.69Å; W1387-F1411 HydrophobicContact CG-CE1 4.28Å; W1387-F1411 HydrophobicContact CG-CZ 4.31Å; W1387-F1411 AromaticContact NE1-CE1 3.64Å; W1387-Y1412 HydrophobicContact CZ2-CE1 4.25Å; W1387-Y1412 HydrophobicContact CZ2-CE2 4.3Å; W1387-Y1412 AromaticContact CZ2-CZ 3.78Å; W1387-Y1412 AromaticContact NE1-CE2 3.95Å; W1387-Y1415 HydrophobicContact CE3-CE1 4.44Å; W1387-K1416 HydrophobicContact CH2-CG 4.11Å; W1387-K1416 HydrophobicContact CZ3-CG 4.38Å; W1387-L1419 HydrophobicContact CH2-CD1 3.95Å | ||
| 1388 | R | 83.6 | Confident | 85.3 | Confident | 147 Ų | 147 | 54.1 Ų | 54.1 | 56% | 0.555 | 27% | 0.269 | S | S | * | . | trans | -127.9 | 128.1 | 166.8 | -62.7 | -179.6 | -173.9 | 175.1 | 2.7 | 108 | N1390 H1391 F1392 | R1388-N1390 PolarHBondContact O-N 3.34Å; R1388-H1391 HydrophobicContact CB-CB 4.11Å; R1388-H1391 PolarHBondContact O-N 3.28Å; R1388-H1391 VanDerWaalsContact O-N 3.16Å; R1388-F1392 WeakPolarHBondContact O-CB 3.32Å; R1388-F1392 PolarHBondContact O-N 3.48Å | ||
| 1389 | E | 79.7 | Confident | 85.2 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -52.9 | -54.1 | -169.5 | -173.1 | -172.6 | 158.3 | 0 | 0 | 113.9 | W1387 H1391 F1392 K1393 L1419 | W1387-E1389 HydrophobicContact CH2-CB 3.84Å; W1387-E1389 HydrophobicContact CH2-CG 4.27Å; W1387-E1389 HydrophobicContact CZ2-CB 4.03Å; W1387-E1389 HydrophobicContact CZ2-CG 4.27Å; W1387-E1389 HydrophobicContact CZ3-CB 4.49Å; E1389-H1391 VanDerWaalsContact C-N 3.34Å; E1389-H1391 PolarHBondContact O-N 2.82Å; E1389-F1392 PolarHBondContact O-N 3Å; E1389-K1393 HydrophobicContact CG-CD 4.28Å; E1389-K1393 WeakPolarHBondContact O-CG 3.47Å; E1389-K1393 PolarHBondContact O-N 2.86Å; E1389-K1393 WeakPolarHBondContact OE1-CE 3.41Å; E1389-K1393 IonicContact OE1-NZ 3.66Å; E1389-K1393 PolarHBondContact OE1-NZ 3.46Å; E1389-L1419 HydrophobicContact CG-CD1 4.14Å; E1389-L1419 WeakPolarHBondContact OE2-CD1 3.37Å |
| 1390 | N | 84.6 | Confident | 84.8 | Confident | 120 Ų | 120 | 57.8 Ų | 57.8 | 64% | 0.642 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | -178.8 | -67.3 | -13.4 | 0 | 0 | 0 | 111.6 | R1388 K1393 D1394 | R1388-N1390 PolarHBondContact O-N 3.34Å; N1390-K1393 PolarHBondContact O-N 3.39Å; N1390-D1394 PolarHBondContact O-N 3.21Å |
| 1391 | H | 87.5 | Confident | 84.7 | Confident | 50 Ų | 50 | 60 Ų | 60 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 178.7 | -168.2 | -160.7 | 0 | 0 | 0 | 111.1 | D1367 M1379 R1388 E1389 D1394 L1395 | D1367-H1391 IonicContact OD2-CD2 3.63Å; D1367-H1391 IonicContact OD2-CE1 3.64Å; D1367-H1391 IonicContact OD2-NE2 3.48Å; D1367-H1391 PolarHBondContact OD2-NE2 3.23Å; M1379-H1391 HydrophobicContact CE-CB 4.12Å; M1379-H1391 WeakPolarHBondContact CE-ND1 3.4Å; R1388-H1391 HydrophobicContact CB-CB 4.11Å; R1388-H1391 PolarHBondContact O-N 3.28Å; R1388-H1391 VanDerWaalsContact O-N 3.16Å; E1389-H1391 VanDerWaalsContact C-N 3.34Å; E1389-H1391 PolarHBondContact O-N 2.82Å; H1391-D1394 PolarHBondContact O-N 3.42Å; H1391-L1395 VanDerWaalsContact O-CG 3.3Å; H1391-L1395 WeakPolarHBondContact O-CG 3.44Å; H1391-L1395 PolarHBondContact O-N 3.4Å |
| 1392 | F | 89.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 175.8 | -171.5 | -82.4 | 0 | 0 | 0 | 111.8 | I1376 M1379 M1380 W1387 R1388 E1389 D1394 L1395 I1396 A1408 Y1412 L1423 | I1376-F1392 HydrophobicContact CD1-CD1 4.42Å; I1376-F1392 HydrophobicContact CD1-CD2 3.66Å; I1376-F1392 HydrophobicContact CD1-CE1 4.36Å; I1376-F1392 HydrophobicContact CD1-CE2 3.59Å; I1376-F1392 HydrophobicContact CD1-CG 4.09Å; I1376-F1392 HydrophobicContact CD1-CZ 3.97Å; I1376-F1392 HydrophobicContact CG2-CE2 4.11Å; I1376-F1392 HydrophobicContact CG2-CZ 4.17Å; M1379-F1392 HydrophobicContact CB-CD2 3.92Å; M1379-F1392 HydrophobicContact CB-CE2 4.17Å; M1379-F1392 HydrophobicContact CG-CD2 4.42Å; M1379-F1392 HydrophobicContact SD-CB 4.04Å; M1379-F1392 HydrophobicContact SD-CD2 3.54Å; M1379-F1392 VanDerWaalsContact SD-CD2 3.54Å; M1379-F1392 HydrophobicContact SD-CE2 4.45Å; M1379-F1392 HydrophobicContact SD-CG 4.23Å; M1380-F1392 HydrophobicContact CG-CE2 3.83Å; M1380-F1392 HydrophobicContact CG-CZ 4.09Å; M1380-F1392 HydrophobicContact SD-CZ 4.33Å; W1387-F1392 AromaticContact CD1-CD2 3.39Å; W1387-F1392 AromaticContact CD1-CG 3.74Å; W1387-F1392 AromaticContact NE1-CD2 3.57Å; W1387-F1392 AromaticContact NE1-CG 3.45Å; R1388-F1392 WeakPolarHBondContact O-CB 3.32Å; R1388-F1392 PolarHBondContact O-N 3.48Å; E1389-F1392 PolarHBondContact O-N 3Å; F1392-D1394 VanDerWaalsContact C-N 3.33Å; F1392-D1394 PolarHBondContact O-N 3.35Å; F1392-L1395 PolarHBondContact O-N 3.32Å; F1392-I1396 HydrophobicContact CD1-CB 4.39Å; F1392-I1396 HydrophobicContact CD1-CG2 4.43Å; F1392-I1396 HydrophobicContact CE1-CB 4.14Å; F1392-I1396 HydrophobicContact CE1-CD1 4.39Å; F1392-I1396 HydrophobicContact CE1-CG1 4.3Å; F1392-I1396 HydrophobicContact CE1-CG2 4.43Å; F1392-I1396 HydrophobicContact CZ-CD1 4.34Å; F1392-I1396 WeakPolarHBondContact O-CB 3.34Å; F1392-I1396 VanDerWaalsContact O-CG2 3.27Å; F1392-I1396 WeakPolarHBondContact O-CG2 3.38Å; F1392-I1396 PolarHBondContact O-N 3.26Å; F1392-A1408 HydrophobicContact CE1-CB 3.92Å; F1392-A1408 HydrophobicContact CZ-CB 3.75Å; F1392-Y1412 AromaticContact CD1-CE2 3.71Å; F1392-Y1412 HydrophobicContact CD1-CE2 3.71Å; F1392-Y1412 WeakPolarHBondContact CD1-OH 3.21Å; F1392-Y1412 HydrophobicContact CE1-CD2 4.43Å; F1392-Y1412 AromaticContact CE1-CE2 3.55Å; F1392-Y1412 HydrophobicContact CE1-CE2 3.55Å; F1392-Y1412 HydrophobicContact CG-CE2 4.49Å; F1392-Y1412 HydrophobicContact CZ-CE2 4.21Å; F1392-L1423 HydrophobicContact CD1-CD1 4.43Å; F1392-L1423 HydrophobicContact CE1-CD1 4.19Å |
| 1393 | K | 85.9 | Confident | 84.6 | Confident | 29 Ų | 29 | 61 Ų | 61 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 177 | -77.6 | 175.7 | 172.5 | 170.1 | 0 | 111.6 | E1389 N1390 I1396 T1397 D1422 | E1389-K1393 HydrophobicContact CG-CD 4.28Å; E1389-K1393 WeakPolarHBondContact O-CG 3.47Å; E1389-K1393 PolarHBondContact O-N 2.86Å; E1389-K1393 WeakPolarHBondContact OE1-CE 3.41Å; E1389-K1393 IonicContact OE1-NZ 3.66Å; E1389-K1393 PolarHBondContact OE1-NZ 3.46Å; N1390-K1393 PolarHBondContact O-N 3.39Å; K1393-I1396 WeakPolarHBondContact O-CG2 3.24Å; K1393-T1397 WeakPolarHBondContact O-CG2 3.48Å; K1393-D1422 IonicContact NZ-OD2 2.63Å; K1393-D1422 PolarHBondContact NZ-OD2 2.89Å |
| 1394 | D | 85.3 | Confident | 84.9 | Confident | 94 Ų | 94 | 60 Ų | 60 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.5 | -46.1 | 178.3 | -69.7 | -17.6 | 0 | 0 | 0 | 111.7 | N1390 H1391 F1392 T1397 | N1390-D1394 PolarHBondContact O-N 3.21Å; H1391-D1394 PolarHBondContact O-N 3.42Å; F1392-D1394 VanDerWaalsContact C-N 3.33Å; F1392-D1394 PolarHBondContact O-N 3.35Å; D1394-T1397 PolarHBondContact O-OG1 2.96Å |
| 1395 | L | 88.5 | Confident | 85.3 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.3 | -39.9 | -177.6 | -64 | -174.1 | 0 | 0 | 0 | 112.8 | D1367 Y1372 A1375 I1376 M1379 H1391 F1392 T1397 R1398 V1399 | D1367-L1395 HydrophobicContact CB-CD1 4.36Å; D1367-L1395 HydrophobicContact CB-CD2 4.24Å; D1367-L1395 WeakPolarHBondContact OD1-CD2 3.28Å; Y1372-L1395 HydrophobicContact CD1-CD2 3.75Å; Y1372-L1395 HydrophobicContact CE1-CD2 4Å; A1375-L1395 HydrophobicContact CB-CD1 3.88Å; I1376-L1395 HydrophobicContact CD1-CB 3.85Å; I1376-L1395 HydrophobicContact CG1-CB 4.21Å; M1379-L1395 HydrophobicContact CE-CD1 3.61Å; M1379-L1395 HydrophobicContact SD-CD1 4.29Å; H1391-L1395 VanDerWaalsContact O-CG 3.3Å; H1391-L1395 WeakPolarHBondContact O-CG 3.44Å; H1391-L1395 PolarHBondContact O-N 3.4Å; F1392-L1395 PolarHBondContact O-N 3.32Å; L1395-T1397 PolarHBondContact O-N 3.29Å; L1395-R1398 PolarHBondContact O-N 3.34Å; L1395-V1399 PolarHBondContact O-N 3.25Å |
| 1396 | I | 90.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.8 | -30.9 | -177.3 | -164.4 | 71.2 | 0 | 0 | 0 | 111 | I1376 F1392 K1393 R1398 V1399 L1404 Y1405 A1408 L1423 L1427 | I1376-I1396 HydrophobicContact CB-CD1 4.42Å; I1376-I1396 HydrophobicContact CD1-CB 3.95Å; I1376-I1396 HydrophobicContact CD1-CD1 4.03Å; I1376-I1396 HydrophobicContact CG1-CD1 4.01Å; I1376-I1396 HydrophobicContact CG2-CD1 3.61Å; F1392-I1396 HydrophobicContact CD1-CB 4.39Å; F1392-I1396 HydrophobicContact CD1-CG2 4.43Å; F1392-I1396 HydrophobicContact CE1-CB 4.14Å; F1392-I1396 HydrophobicContact CE1-CD1 4.39Å; F1392-I1396 HydrophobicContact CE1-CG1 4.3Å; F1392-I1396 HydrophobicContact CE1-CG2 4.43Å; F1392-I1396 HydrophobicContact CZ-CD1 4.34Å; F1392-I1396 WeakPolarHBondContact O-CB 3.34Å; F1392-I1396 VanDerWaalsContact O-CG2 3.27Å; F1392-I1396 WeakPolarHBondContact O-CG2 3.38Å; F1392-I1396 PolarHBondContact O-N 3.26Å; K1393-I1396 WeakPolarHBondContact O-CG2 3.24Å; I1396-R1398 PolarHBondContact O-N 3.01Å; I1396-V1399 HydrophobicContact CD1-CG1 4.38Å; I1396-V1399 HydrophobicContact CD1-CG2 4.34Å; I1396-V1399 WeakPolarHBondContact O-CG2 3.26Å; I1396-L1404 HydrophobicContact CD1-CB 4.39Å; I1396-Y1405 HydrophobicContact CD1-CD1 4.08Å; I1396-Y1405 HydrophobicContact CD1-CE1 4.43Å; I1396-Y1405 HydrophobicContact CG1-CD1 3.87Å; I1396-Y1405 HydrophobicContact CG1-CE1 4.07Å; I1396-Y1405 VanDerWaalsContact O-CE1 3.23Å; I1396-Y1405 WeakPolarHBondContact O-CE1 3.44Å; I1396-A1408 HydrophobicContact CD1-CB 3.98Å; I1396-A1408 HydrophobicContact CG1-CB 4.37Å; I1396-L1423 HydrophobicContact CG2-CD1 4.01Å; I1396-L1427 HydrophobicContact CB-CD2 4.45Å; I1396-L1427 HydrophobicContact CG1-CD1 4.5Å; I1396-L1427 HydrophobicContact CG1-CD2 3.88Å; I1396-L1427 HydrophobicContact CG2-CD2 3.84Å |
| 1397 | T | 88 | Confident | 86.4 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 31% | 0.307 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -18 | 176.3 | 62.7 | 0 | 0 | 0 | 0 | 114 | K1393 D1394 L1395 V1426 | K1393-T1397 WeakPolarHBondContact O-CG2 3.48Å; D1394-T1397 PolarHBondContact O-OG1 2.96Å; L1395-T1397 PolarHBondContact O-N 3.29Å; T1397-V1426 HydrophobicContact CG2-CG1 3.26Å |
| 1398 | R | 87.6 | Confident | 86.7 | Confident | 137 Ų | 137 | 54 Ų | 54 | 52% | 0.517 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -7.6 | -174.6 | -58 | -178.9 | -170.1 | -174.1 | 3 | 114.3 | Y1372 L1395 I1396 | Y1372-R1398 HydrophobicContact CD2-CB 3.65Å; Y1372-R1398 HydrophobicContact CE2-CB 3.85Å; Y1372-R1398 HydrophobicContact CG-CB 4.02Å; L1395-R1398 PolarHBondContact O-N 3.34Å; I1396-R1398 PolarHBondContact O-N 3.01Å |
| 1399 | V | 86.7 | Confident | 86.9 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | trans | -63 | 145.6 | 177.7 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | D1373 I1376 L1395 I1396 L1404 Y1405 | D1373-V1399 WeakPolarHBondContact OD1-CA 3.38Å; D1373-V1399 WeakPolarHBondContact OD1-CB 3.27Å; I1376-V1399 HydrophobicContact CB-CG1 4.37Å; I1376-V1399 HydrophobicContact CG1-CG1 3.78Å; L1395-V1399 PolarHBondContact O-N 3.25Å; I1396-V1399 HydrophobicContact CD1-CG1 4.38Å; I1396-V1399 HydrophobicContact CD1-CG2 4.34Å; I1396-V1399 WeakPolarHBondContact O-CG2 3.26Å; V1399-L1404 HydrophobicContact CB-CD1 4.18Å; V1399-L1404 HydrophobicContact CG1-CD1 4.14Å; V1399-L1404 HydrophobicContact CG2-CB 4.45Å; V1399-Y1405 HydrophobicContact CG2-CD1 4.07Å; V1399-Y1405 HydrophobicContact CG2-CE1 3.32Å | ||
| 1400 | A | 82.6 | Confident | 87.3 | Confident | 90 Ų | 90 | 48.5 Ų | 48.5 | 74% | 0.744 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -83.7 | -34.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D1373 V1402 | D1373-A1400 PolarHBondContact OD1-N 2.97Å; A1400-V1402 PolarHBondContact O-N 2.87Å |
| 1401 | N | 85.6 | Confident | 87.6 | Confident | 73 Ų | 73 | 43.9 Ų | 43.9 | 39% | 0.39 | 22% | 0.224 | S | C | . | . | trans | -87.4 | 105.1 | -177.1 | -172.2 | -5.1 | 0 | 0 | 0 | 112.8 | D1373 E1403 L1404 | D1373-N1401 WeakPolarHBondContact OD2-CB 3.44Å; D1373-N1401 PolarHBondContact OD2-N 3.42Å; N1401-E1403 PolarHBondContact O-N 3.3Å; N1401-E1403 VanDerWaalsContact O-N 3.17Å; N1401-E1403 VanDerWaalsContact OD1-CB 3.24Å; N1401-E1403 WeakPolarHBondContact OD1-CB 3.35Å; N1401-E1403 PolarHBondContact OD1-N 3.17Å; N1401-L1404 HydrophobicContact CB-CD1 4.18Å; N1401-L1404 HydrophobicContact CB-CG 4.12Å; N1401-L1404 VanDerWaalsContact O-CB 3.28Å; N1401-L1404 WeakPolarHBondContact O-CB 3.3Å; N1401-L1404 PolarHBondContact O-N 2.97Å | ||
| 1402 | V | 83.9 | Confident | 87.6 | Confident | 64 Ų | 64 | 41.5 Ų | 41.5 | 39% | 0.388 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.2 | 178.1 | -175.9 | 0 | 0 | 0 | 0 | 112.9 | A1400 L1404 Y1405 Y1406 | A1400-V1402 PolarHBondContact O-N 2.87Å; V1402-L1404 PolarHBondContact O-N 3.03Å; V1402-Y1405 HydrophobicContact CB-CD2 4.36Å; V1402-Y1405 HydrophobicContact CB-CE2 4.43Å; V1402-Y1405 HydrophobicContact CG1-CD2 3.67Å; V1402-Y1405 HydrophobicContact CG1-CE2 4.01Å; V1402-Y1405 HydrophobicContact CG2-CE2 4.38Å; V1402-Y1405 VanDerWaalsContact O-CB 3.28Å; V1402-Y1405 WeakPolarHBondContact O-CB 3.47Å; V1402-Y1405 PolarHBondContact O-N 2.86Å; V1402-Y1406 HydrophobicContact CG1-CE2 4.39Å |
| 1403 | E | 86.4 | Confident | 87.5 | Confident | 82 Ų | 82 | 42.7 Ų | 42.7 | 38% | 0.383 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.5 | -25.6 | 174.3 | -66.3 | -63.7 | 145.8 | 0 | 0 | 112.6 | N1401 Y1405 Y1406 K1407 R1435 | N1401-E1403 PolarHBondContact O-N 3.3Å; N1401-E1403 VanDerWaalsContact O-N 3.17Å; N1401-E1403 VanDerWaalsContact OD1-CB 3.24Å; N1401-E1403 WeakPolarHBondContact OD1-CB 3.35Å; N1401-E1403 PolarHBondContact OD1-N 3.17Å; E1403-Y1405 PolarHBondContact O-N 3.38Å; E1403-Y1406 PolarHBondContact O-N 3.2Å; E1403-K1407 PolarHBondContact O-N 3.4Å; E1403-K1407 VanDerWaalsContact O-N 3.15Å; E1403-R1435 VanDerWaalsContact CD-NH2 3.28Å; E1403-R1435 IonicContact OE1-CZ 2.75Å; E1403-R1435 VanDerWaalsContact OE1-CZ 3.3Å; E1403-R1435 IonicContact OE1-NH1 3.15Å; E1403-R1435 PolarHBondContact OE1-NH1 3.19Å; E1403-R1435 IonicContact OE1-NH2 3.04Å; E1403-R1435 PolarHBondContact OE1-NH2 3.21Å; E1403-R1435 IonicContact OE2-CZ 3.94Å; E1403-R1435 IonicContact OE2-NH1 3.51Å; E1403-R1435 IonicContact OE2-NH2 3.69Å; E1403-R1435 PolarHBondContact OE2-NH2 3Å |
| 1404 | L | 88.7 | Confident | 87.5 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.7 | -24.2 | 175 | -62.6 | 179.3 | 0 | 0 | 0 | 112.1 | D1373 I1376 L1377 M1380 I1396 V1399 N1401 V1402 K1407 A1408 | D1373-L1404 HydrophobicContact CB-CD1 3.67Å; I1376-L1404 HydrophobicContact CG2-CB 4.47Å; L1377-L1404 HydrophobicContact CD1-CD2 4.32Å; L1377-L1404 HydrophobicContact CD2-CD2 3.57Å; L1377-L1404 HydrophobicContact CG-CD2 3.8Å; M1380-L1404 HydrophobicContact CE-CD2 4.41Å; I1396-L1404 HydrophobicContact CD1-CB 4.39Å; V1399-L1404 HydrophobicContact CB-CD1 4.18Å; V1399-L1404 HydrophobicContact CG1-CD1 4.14Å; V1399-L1404 HydrophobicContact CG2-CB 4.45Å; N1401-L1404 HydrophobicContact CB-CD1 4.18Å; N1401-L1404 HydrophobicContact CB-CG 4.12Å; N1401-L1404 VanDerWaalsContact O-CB 3.28Å; N1401-L1404 WeakPolarHBondContact O-CB 3.3Å; N1401-L1404 PolarHBondContact O-N 2.97Å; V1402-L1404 PolarHBondContact O-N 3.03Å; L1404-K1407 HydrophobicContact CD2-CD 4.25Å; L1404-K1407 PolarHBondContact O-N 2.83Å; L1404-A1408 WeakPolarHBondContact O-CB 3.28Å; L1404-A1408 PolarHBondContact O-N 3.42Å |
| 1405 | Y | 89.2 | Confident | 87.4 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -45.1 | 172.8 | -60 | -17.4 | 0 | 0 | 0 | 111.3 | I1396 V1399 V1402 E1403 A1408 I1409 L1427 R1430 L1431 | I1396-Y1405 HydrophobicContact CD1-CD1 4.08Å; I1396-Y1405 HydrophobicContact CD1-CE1 4.43Å; I1396-Y1405 HydrophobicContact CG1-CD1 3.87Å; I1396-Y1405 HydrophobicContact CG1-CE1 4.07Å; I1396-Y1405 VanDerWaalsContact O-CE1 3.23Å; I1396-Y1405 WeakPolarHBondContact O-CE1 3.44Å; V1399-Y1405 HydrophobicContact CG2-CD1 4.07Å; V1399-Y1405 HydrophobicContact CG2-CE1 3.32Å; V1402-Y1405 HydrophobicContact CB-CD2 4.36Å; V1402-Y1405 HydrophobicContact CB-CE2 4.43Å; V1402-Y1405 HydrophobicContact CG1-CD2 3.67Å; V1402-Y1405 HydrophobicContact CG1-CE2 4.01Å; V1402-Y1405 HydrophobicContact CG2-CE2 4.38Å; V1402-Y1405 VanDerWaalsContact O-CB 3.28Å; V1402-Y1405 WeakPolarHBondContact O-CB 3.47Å; V1402-Y1405 PolarHBondContact O-N 2.86Å; E1403-Y1405 PolarHBondContact O-N 3.38Å; Y1405-A1408 PolarHBondContact O-N 3.35Å; Y1405-I1409 WeakPolarHBondContact O-CB 3.03Å; Y1405-I1409 WeakPolarHBondContact O-CG1 3.35Å; Y1405-I1409 PolarHBondContact O-N 3.05Å; Y1405-L1427 HydrophobicContact CD1-CD1 4.2Å; Y1405-L1427 HydrophobicContact CD1-CD2 3.68Å; Y1405-L1427 HydrophobicContact CE1-CD2 3.7Å; Y1405-L1427 HydrophobicContact CG-CD1 4.2Å; Y1405-L1427 HydrophobicContact CG-CD2 4.17Å; Y1405-R1430 HydrophobicContact CE2-CB 3.77Å; Y1405-L1431 HydrophobicContact CD2-CD1 4.31Å |
| 1406 | Y | 88.9 | Confident | 87.2 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.4 | -36.1 | 178.7 | -61.5 | -73.4 | 0 | 0 | 0 | 112 | V1402 E1403 I1409 Q1410 L1431 D1432 R1435 A1436 | V1402-Y1406 HydrophobicContact CG1-CE2 4.39Å; E1403-Y1406 PolarHBondContact O-N 3.2Å; Y1406-I1409 HydrophobicContact CD1-CD1 4.35Å; Y1406-I1409 PolarHBondContact O-N 3.05Å; Y1406-Q1410 PolarHBondContact O-N 2.87Å; Y1406-L1431 HydrophobicContact CE1-CD1 3.91Å; Y1406-L1431 HydrophobicContact CE2-CD1 4.48Å; Y1406-D1432 WeakPolarHBondContact OH-CB 3.03Å; Y1406-D1432 PolarHBondContact OH-O 2.91Å; Y1406-D1432 VanDerWaalsContact OH-O 3.13Å; Y1406-R1435 HydrophobicContact CD1-CG 4.38Å; Y1406-R1435 HydrophobicContact CE1-CB 4.07Å; Y1406-R1435 HydrophobicContact CE1-CG 3.64Å; Y1406-R1435 HydrophobicContact CE2-CG 4.32Å; Y1406-R1435 VanDerWaalsContact CZ-CD 3.44Å; Y1406-R1435 WeakPolarHBondContact OH-CB 3.4Å; Y1406-A1436 HydrophobicContact CE1-CB 4.37Å |
| 1407 | K | 88.6 | Confident | 86.9 | Confident | 118 Ų | 118 | 53.3 Ų | 53.3 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 170.7 | -69.4 | -173.8 | -178 | 177.7 | 0 | 111.9 | L1377 M1380 E1403 L1404 Q1410 F1411 | L1377-K1407 HydrophobicContact CD2-CD 4.41Å; M1380-K1407 HydrophobicContact CE-CB 3.97Å; M1380-K1407 HydrophobicContact SD-CB 4.1Å; E1403-K1407 PolarHBondContact O-N 3.4Å; E1403-K1407 VanDerWaalsContact O-N 3.15Å; L1404-K1407 HydrophobicContact CD2-CD 4.25Å; L1404-K1407 PolarHBondContact O-N 2.83Å; K1407-Q1410 PolarHBondContact O-N 3.37Å; K1407-F1411 VanDerWaalsContact O-CB 3.29Å; K1407-F1411 WeakPolarHBondContact O-CB 3.41Å; K1407-F1411 PolarHBondContact O-N 3.5Å |
| 1408 | A | 89.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1380 F1392 I1396 L1404 Y1405 F1411 Y1412 L1423 | M1380-A1408 HydrophobicContact SD-CB 4.19Å; F1392-A1408 HydrophobicContact CE1-CB 3.92Å; F1392-A1408 HydrophobicContact CZ-CB 3.75Å; I1396-A1408 HydrophobicContact CD1-CB 3.98Å; I1396-A1408 HydrophobicContact CG1-CB 4.37Å; L1404-A1408 WeakPolarHBondContact O-CB 3.28Å; L1404-A1408 PolarHBondContact O-N 3.42Å; Y1405-A1408 PolarHBondContact O-N 3.35Å; A1408-F1411 WeakPolarHBondContact O-CB 3.29Å; A1408-F1411 PolarHBondContact O-N 2.52Å; A1408-Y1412 WeakPolarHBondContact O-CD2 3.48Å; A1408-Y1412 PolarHBondContact O-N 3.12Å; A1408-L1423 HydrophobicContact CB-CD2 4.22Å |
| 1409 | I | 88.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.3 | -49.6 | 173.9 | -73.3 | 165.4 | 0 | 0 | 0 | 110.6 | Y1405 Y1406 F1411 Y1412 L1413 L1420 L1424 L1431 F1439 F1440 | Y1405-I1409 WeakPolarHBondContact O-CB 3.03Å; Y1405-I1409 WeakPolarHBondContact O-CG1 3.35Å; Y1405-I1409 PolarHBondContact O-N 3.05Å; Y1406-I1409 HydrophobicContact CD1-CD1 4.35Å; Y1406-I1409 PolarHBondContact O-N 3.05Å; I1409-F1411 VanDerWaalsContact C-N 3.29Å; I1409-F1411 PolarHBondContact O-N 2.81Å; I1409-Y1412 PolarHBondContact O-N 3.07Å; I1409-L1413 WeakPolarHBondContact O-CB 3.12Å; I1409-L1413 PolarHBondContact O-N 3.4Å; I1409-L1420 HydrophobicContact CG2-CD1 4.26Å; I1409-L1424 HydrophobicContact CD1-CD2 3.65Å; I1409-L1424 HydrophobicContact CG1-CD2 3.78Å; I1409-L1431 HydrophobicContact CD1-CD1 3.98Å; I1409-L1431 HydrophobicContact CD1-CD2 4.01Å; I1409-F1439 HydrophobicContact CG2-CD1 3.93Å; I1409-F1439 HydrophobicContact CG2-CE1 3.49Å; I1409-F1439 VanDerWaalsContact CG2-CE1 3.49Å; I1409-F1439 HydrophobicContact CG2-CZ 4.21Å; I1409-F1440 HydrophobicContact CG2-CE1 3.64Å; I1409-F1440 HydrophobicContact CG2-CE2 4.25Å; I1409-F1440 HydrophobicContact CG2-CZ 3.32Å |
| 1410 | Q | 88.6 | Confident | 86.6 | Confident | 87 Ų | 87 | 53.8 Ų | 53.8 | 41% | 0.407 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60 | -40.7 | 175.7 | -179.1 | 65.2 | 51.1 | 0 | 0 | 111.5 | Y1406 K1407 L1413 T1414 F1439 | Y1406-Q1410 PolarHBondContact O-N 2.87Å; K1407-Q1410 PolarHBondContact O-N 3.37Å; Q1410-L1413 PolarHBondContact O-N 3.05Å; Q1410-T1414 PolarHBondContact NE2-OG1 3.39Å; Q1410-T1414 WeakPolarHBondContact O-CB 3.46Å; Q1410-T1414 PolarHBondContact O-N 3.47Å; Q1410-T1414 PolarHBondContact O-OG1 2.81Å; Q1410-F1439 HydrophobicContact CB-CZ 3.99Å |
| 1411 | F | 89.3 | Confident | 86.8 | Confident | 23 Ų | 23 | 50.7 Ų | 50.7 | 10% | 0.101 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63 | -47.7 | 177.5 | 170.1 | -103.5 | 0 | 0 | 0 | 111.4 | M1380 P1383 W1387 K1407 A1408 I1409 L1413 T1414 Y1415 | M1380-F1411 HydrophobicContact CB-CD2 4.16Å; M1380-F1411 HydrophobicContact CB-CG 4.22Å; M1380-F1411 HydrophobicContact CG-CB 4.07Å; M1380-F1411 HydrophobicContact CG-CD1 3.96Å; M1380-F1411 HydrophobicContact CG-CD2 4.25Å; M1380-F1411 HydrophobicContact CG-CG 3.81Å; M1380-F1411 HydrophobicContact SD-CB 3.95Å; M1380-F1411 HydrophobicContact SD-CG 4.35Å; P1383-F1411 HydrophobicContact CB-CE2 3.66Å; P1383-F1411 HydrophobicContact CB-CZ 3.57Å; P1383-F1411 HydrophobicContact CG-CE2 4.04Å; P1383-F1411 HydrophobicContact CG-CZ 4.43Å; W1387-F1411 AromaticContact CD1-CE1 3.69Å; W1387-F1411 HydrophobicContact CG-CE1 4.28Å; W1387-F1411 HydrophobicContact CG-CZ 4.31Å; W1387-F1411 AromaticContact NE1-CE1 3.64Å; K1407-F1411 VanDerWaalsContact O-CB 3.29Å; K1407-F1411 WeakPolarHBondContact O-CB 3.41Å; K1407-F1411 PolarHBondContact O-N 3.5Å; A1408-F1411 WeakPolarHBondContact O-CB 3.29Å; A1408-F1411 PolarHBondContact O-N 2.52Å; I1409-F1411 VanDerWaalsContact C-N 3.29Å; I1409-F1411 PolarHBondContact O-N 2.81Å; F1411-L1413 PolarHBondContact O-N 3.23Å; F1411-T1414 PolarHBondContact O-N 2.9Å; F1411-Y1415 HydrophobicContact CE2-CD1 4.33Å; F1411-Y1415 HydrophobicContact CE2-CG 4.08Å; F1411-Y1415 AromaticContact CZ-CD1 3.82Å; F1411-Y1415 HydrophobicContact CZ-CD1 3.82Å; F1411-Y1415 HydrophobicContact CZ-CG 4.03Å; F1411-Y1415 WeakPolarHBondContact O-CB 3.38Å; F1411-Y1415 PolarHBondContact O-N 3.48Å |
| 1412 | Y | 88.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 176.8 | -90.9 | -116.7 | 0 | 0 | 0 | 111.9 | W1387 F1392 A1408 I1409 T1414 Y1415 K1416 P1417 L1419 L1423 | W1387-Y1412 HydrophobicContact CZ2-CE1 4.25Å; W1387-Y1412 HydrophobicContact CZ2-CE2 4.3Å; W1387-Y1412 AromaticContact CZ2-CZ 3.78Å; W1387-Y1412 AromaticContact NE1-CE2 3.95Å; F1392-Y1412 AromaticContact CD1-CE2 3.71Å; F1392-Y1412 HydrophobicContact CD1-CE2 3.71Å; F1392-Y1412 WeakPolarHBondContact CD1-OH 3.21Å; F1392-Y1412 HydrophobicContact CE1-CD2 4.43Å; F1392-Y1412 AromaticContact CE1-CE2 3.55Å; F1392-Y1412 HydrophobicContact CE1-CE2 3.55Å; F1392-Y1412 HydrophobicContact CG-CE2 4.49Å; F1392-Y1412 HydrophobicContact CZ-CE2 4.21Å; A1408-Y1412 WeakPolarHBondContact O-CD2 3.48Å; A1408-Y1412 PolarHBondContact O-N 3.12Å; I1409-Y1412 PolarHBondContact O-N 3.07Å; Y1412-T1414 PolarHBondContact O-N 3.12Å; Y1412-Y1415 PolarHBondContact O-N 2.88Å; Y1412-K1416 CarbonylContact O-C 3.55Å; Y1412-K1416 WeakPolarHBondContact O-CA 2.99Å; Y1412-K1416 PolarHBondContact O-N 3.4Å; Y1412-P1417 WeakPolarHBondContact O-CA 3.32Å; Y1412-L1419 HydrophobicContact CD1-CB 3.93Å; Y1412-L1419 HydrophobicContact CE1-CB 3.78Å; Y1412-L1423 HydrophobicContact CD1-CB 4.07Å; Y1412-L1423 HydrophobicContact CD1-CD2 4.11Å; Y1412-L1423 HydrophobicContact CD2-CD2 3.54Å; Y1412-L1423 HydrophobicContact CE1-CB 3.95Å; Y1412-L1423 HydrophobicContact CE1-CD2 4.35Å; Y1412-L1423 HydrophobicContact CE2-CD1 4.37Å; Y1412-L1423 HydrophobicContact CE2-CD2 3.82Å; Y1412-L1423 HydrophobicContact CG-CB 4.49Å; Y1412-L1423 HydrophobicContact CG-CD2 3.68Å |
| 1413 | L | 85.9 | Confident | 86.9 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 13% | 0.131 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.6 | -35.5 | 175.6 | -173.2 | 68.1 | 0 | 0 | 0 | 111.9 | I1409 Q1410 F1411 L1420 F1439 A1443 H1445 | I1409-L1413 WeakPolarHBondContact O-CB 3.12Å; I1409-L1413 PolarHBondContact O-N 3.4Å; Q1410-L1413 PolarHBondContact O-N 3.05Å; F1411-L1413 PolarHBondContact O-N 3.23Å; L1413-L1420 HydrophobicContact CD1-CD2 4.12Å; L1413-F1439 HydrophobicContact CD2-CE1 4.49Å; L1413-A1443 HydrophobicContact CD2-CB 4.27Å; L1413-H1445 HydrophobicContact CD1-CB 4.05Å |
| 1414 | T | 86.2 | Confident | 86.9 | Confident | 105 Ų | 105 | 43.6 Ų | 43.6 | 64% | 0.644 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -86 | -41.1 | -177.4 | -49 | 0 | 0 | 0 | 0 | 112.8 | Q1410 F1411 Y1412 | Q1410-T1414 PolarHBondContact NE2-OG1 3.39Å; Q1410-T1414 WeakPolarHBondContact O-CB 3.46Å; Q1410-T1414 PolarHBondContact O-N 3.47Å; Q1410-T1414 PolarHBondContact O-OG1 2.81Å; F1411-T1414 PolarHBondContact O-N 2.9Å; Y1412-T1414 PolarHBondContact O-N 3.12Å |
| 1415 | Y | 83.1 | Confident | 86.8 | Confident | 91 Ų | 91 | 46.7 Ų | 46.7 | 36% | 0.357 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -100.5 | -39.5 | -170.2 | -165.6 | -108.9 | 0 | 0 | 0 | 113.7 | P1383 W1387 F1411 Y1412 | P1383-Y1415 HydrophobicContact CB-CD1 4.18Å; P1383-Y1415 HydrophobicContact CB-CD2 4.42Å; P1383-Y1415 HydrophobicContact CB-CE1 3.87Å; P1383-Y1415 HydrophobicContact CB-CE2 4.1Å; P1383-Y1415 HydrophobicContact CB-CG 4.47Å; P1383-Y1415 HydrophobicContact CG-CD2 4.19Å; P1383-Y1415 HydrophobicContact CG-CE2 3.86Å; W1387-Y1415 HydrophobicContact CE3-CE1 4.44Å; F1411-Y1415 HydrophobicContact CE2-CD1 4.33Å; F1411-Y1415 HydrophobicContact CE2-CG 4.08Å; F1411-Y1415 AromaticContact CZ-CD1 3.82Å; F1411-Y1415 HydrophobicContact CZ-CD1 3.82Å; F1411-Y1415 HydrophobicContact CZ-CG 4.03Å; F1411-Y1415 WeakPolarHBondContact O-CB 3.38Å; F1411-Y1415 PolarHBondContact O-N 3.48Å; Y1412-Y1415 PolarHBondContact O-N 2.88Å |
| 1416 | K | 85.4 | Confident | 86.7 | Confident | 97 Ų | 97 | 49.4 Ų | 49.4 | 42% | 0.422 | 25% | 0.249 | S | C | . | . | trans | -147.4 | 70.3 | -175.5 | -70.3 | -67.3 | -179.8 | 175.9 | 0 | 112 | W1387 Y1412 L1418 L1419 | W1387-K1416 HydrophobicContact CH2-CG 4.11Å; W1387-K1416 HydrophobicContact CZ3-CG 4.38Å; Y1412-K1416 CarbonylContact O-C 3.55Å; Y1412-K1416 WeakPolarHBondContact O-CA 2.99Å; Y1412-K1416 PolarHBondContact O-N 3.4Å; K1416-L1418 PolarHBondContact O-N 2.83Å; K1416-L1418 VanDerWaalsContact O-N 3.16Å; K1416-L1419 HydrophobicContact CB-CD1 4.19Å; K1416-L1419 HydrophobicContact CG-CD1 4.47Å; K1416-L1419 PolarHBondContact O-N 3.42Å; K1416-L1419 VanDerWaalsContact O-N 3.14Å | ||
| 1417 | P | 82.7 | Confident | 86.5 | Confident | 55 Ų | 55 | 48.8 Ų | 48.8 | 36% | 0.357 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -63.5 | -26.6 | -173.1 | 23 | -33.9 | 0 | 0 | 0 | 113.9 | Y1412 L1419 L1420 | Y1412-P1417 WeakPolarHBondContact O-CA 3.32Å; P1417-L1419 VanDerWaalsContact C-N 3.26Å; P1417-L1419 PolarHBondContact O-N 3.01Å; P1417-L1420 WeakPolarHBondContact O-CB 3.38Å; P1417-L1420 PolarHBondContact O-N 2.82Å |
| 1418 | L | 84.5 | Confident | 86.3 | Confident | 160 Ų | 160 | 44.1 Ų | 44.1 | 84% | 0.838 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -66.3 | -25.4 | 178.8 | -64.7 | 175.8 | 0 | 0 | 0 | 113.5 | K1416 | K1416-L1418 PolarHBondContact O-N 2.83Å; K1416-L1418 VanDerWaalsContact O-N 3.16Å |
| 1419 | L | 85.7 | Confident | 85.9 | Confident | 38 Ų | 38 | 49.6 Ų | 49.6 | 20% | 0.199 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -93.8 | 2.1 | -179.9 | -61.6 | 173.9 | 0 | 0 | 0 | 112.6 | W1387 E1389 Y1412 K1416 P1417 N1421 D1422 L1423 | W1387-L1419 HydrophobicContact CH2-CD1 3.95Å; E1389-L1419 HydrophobicContact CG-CD1 4.14Å; E1389-L1419 WeakPolarHBondContact OE2-CD1 3.37Å; Y1412-L1419 HydrophobicContact CD1-CB 3.93Å; Y1412-L1419 HydrophobicContact CE1-CB 3.78Å; K1416-L1419 HydrophobicContact CB-CD1 4.19Å; K1416-L1419 HydrophobicContact CG-CD1 4.47Å; K1416-L1419 PolarHBondContact O-N 3.42Å; K1416-L1419 VanDerWaalsContact O-N 3.14Å; P1417-L1419 VanDerWaalsContact C-N 3.26Å; P1417-L1419 PolarHBondContact O-N 3.01Å; L1419-N1421 PolarHBondContact O-N 2.84Å; L1419-D1422 PolarHBondContact O-N 3.14Å; L1419-L1423 PolarHBondContact O-N 3.46Å; L1419-L1423 VanDerWaalsContact O-N 3.16Å |
| 1420 | L | 87.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.5 | -42.4 | -174.8 | 179 | 63.8 | 0 | 0 | 0 | 112.3 | I1409 L1413 P1417 D1422 L1423 L1424 F1440 V1449 | I1409-L1420 HydrophobicContact CG2-CD1 4.26Å; L1413-L1420 HydrophobicContact CD1-CD2 4.12Å; P1417-L1420 WeakPolarHBondContact O-CB 3.38Å; P1417-L1420 PolarHBondContact O-N 2.82Å; L1420-D1422 VanDerWaalsContact C-N 3.32Å; L1420-D1422 PolarHBondContact O-N 2.75Å; L1420-L1423 PolarHBondContact O-N 2.89Å; L1420-L1424 HydrophobicContact CD1-CD1 4.23Å; L1420-L1424 HydrophobicContact CD1-CG 4.24Å; L1420-L1424 HydrophobicContact CG-CD1 3.93Å; L1420-L1424 HydrophobicContact CG-CG 4.38Å; L1420-L1424 WeakPolarHBondContact O-CB 3.47Å; L1420-L1424 VanDerWaalsContact O-CG 3.25Å; L1420-L1424 WeakPolarHBondContact O-CG 3.29Å; L1420-L1424 PolarHBondContact O-N 3.3Å; L1420-F1440 HydrophobicContact CD1-CE1 4.44Å; L1420-F1440 HydrophobicContact CD1-CZ 4.23Å; L1420-F1440 HydrophobicContact CD2-CE1 3.73Å; L1420-F1440 HydrophobicContact CD2-CZ 4.09Å; L1420-F1440 HydrophobicContact CG-CZ 4.45Å; L1420-V1449 HydrophobicContact CD2-CG1 3.65Å; L1420-V1449 HydrophobicContact CG-CG1 4.21Å |
| 1421 | N | 86.3 | Confident | 85.3 | Confident | 25 Ų | 25 | 53.4 Ų | 53.4 | 13% | 0.134 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.1 | -41 | 178.6 | -77 | -71.9 | 0 | 0 | 0 | 111.6 | L1419 L1424 M1425 L1448 V1449 P1451 Y1452 | L1419-N1421 PolarHBondContact O-N 2.84Å; N1421-L1424 PolarHBondContact O-N 2.96Å; N1421-M1425 WeakPolarHBondContact O-CG 3.34Å; N1421-M1425 PolarHBondContact O-N 3.26Å; N1421-L1448 PolarHBondContact ND2-O 3.39Å; N1421-V1449 WeakPolarHBondContact OD1-CA 3.4Å; N1421-P1451 HydrophobicContact CB-CB 4.42Å; N1421-P1451 WeakPolarHBondContact OD1-CD 3.3Å; N1421-Y1452 PolarHBondContact OD1-N 3.46Å |
| 1422 | D | 85.2 | Confident | 85.2 | Confident | 70 Ų | 70 | 56.1 Ų | 56.1 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 177.8 | -66.7 | -1.7 | 0 | 0 | 0 | 111.9 | K1393 L1419 L1420 M1425 V1426 | K1393-D1422 IonicContact NZ-OD2 2.63Å; K1393-D1422 PolarHBondContact NZ-OD2 2.89Å; L1419-D1422 PolarHBondContact O-N 3.14Å; L1420-D1422 VanDerWaalsContact C-N 3.32Å; L1420-D1422 PolarHBondContact O-N 2.75Å; D1422-M1425 PolarHBondContact O-N 3.14Å; D1422-V1426 WeakPolarHBondContact O-CG2 3.38Å; D1422-V1426 PolarHBondContact O-N 2.91Å; D1422-V1426 VanDerWaalsContact O-N 3.16Å |
| 1423 | L | 86.3 | Confident | 85 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.2 | -47 | 173.9 | 176.8 | 70 | 0 | 0 | 0 | 110.8 | F1392 I1396 A1408 Y1412 L1419 L1420 M1425 V1426 L1427 | F1392-L1423 HydrophobicContact CD1-CD1 4.43Å; F1392-L1423 HydrophobicContact CE1-CD1 4.19Å; I1396-L1423 HydrophobicContact CG2-CD1 4.01Å; A1408-L1423 HydrophobicContact CB-CD2 4.22Å; Y1412-L1423 HydrophobicContact CD1-CB 4.07Å; Y1412-L1423 HydrophobicContact CD1-CD2 4.11Å; Y1412-L1423 HydrophobicContact CD2-CD2 3.54Å; Y1412-L1423 HydrophobicContact CE1-CB 3.95Å; Y1412-L1423 HydrophobicContact CE1-CD2 4.35Å; Y1412-L1423 HydrophobicContact CE2-CD1 4.37Å; Y1412-L1423 HydrophobicContact CE2-CD2 3.82Å; Y1412-L1423 HydrophobicContact CG-CB 4.49Å; Y1412-L1423 HydrophobicContact CG-CD2 3.68Å; L1419-L1423 PolarHBondContact O-N 3.46Å; L1419-L1423 VanDerWaalsContact O-N 3.16Å; L1420-L1423 PolarHBondContact O-N 2.89Å; L1423-M1425 VanDerWaalsContact C-N 3.31Å; L1423-M1425 PolarHBondContact O-N 2.84Å; L1423-V1426 PolarHBondContact O-N 2.94Å; L1423-L1427 HydrophobicContact CD1-CD1 3.9Å; L1423-L1427 HydrophobicContact CD1-CG 4.13Å; L1423-L1427 HydrophobicContact CD2-CD1 4.27Å; L1423-L1427 HydrophobicContact CG-CD1 3.82Å; L1423-L1427 HydrophobicContact CG-CG 4.32Å; L1423-L1427 WeakPolarHBondContact O-CG 3.39Å; L1423-L1427 PolarHBondContact O-N 2.75Å |
| 1424 | L | 86.5 | Confident | 85 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -34.4 | -178.3 | -71.7 | 171.7 | 0 | 0 | 0 | 112.6 | I1409 L1420 N1421 L1427 S1428 L1431 F1440 V1449 Y1452 | I1409-L1424 HydrophobicContact CD1-CD2 3.65Å; I1409-L1424 HydrophobicContact CG1-CD2 3.78Å; L1420-L1424 HydrophobicContact CD1-CD1 4.23Å; L1420-L1424 HydrophobicContact CD1-CG 4.24Å; L1420-L1424 HydrophobicContact CG-CD1 3.93Å; L1420-L1424 HydrophobicContact CG-CG 4.38Å; L1420-L1424 WeakPolarHBondContact O-CB 3.47Å; L1420-L1424 VanDerWaalsContact O-CG 3.25Å; L1420-L1424 WeakPolarHBondContact O-CG 3.29Å; L1420-L1424 PolarHBondContact O-N 3.3Å; N1421-L1424 PolarHBondContact O-N 2.96Å; L1424-L1427 PolarHBondContact O-N 3.37Å; L1424-S1428 PolarHBondContact O-N 2.94Å; L1424-L1431 HydrophobicContact CD2-CD2 3.77Å; L1424-F1440 HydrophobicContact CD1-CE2 3.85Å; L1424-F1440 HydrophobicContact CD1-CZ 3.77Å; L1424-F1440 HydrophobicContact CD2-CE2 4.06Å; L1424-F1440 HydrophobicContact CD2-CZ 4.09Å; L1424-F1440 HydrophobicContact CG-CZ 4.46Å; L1424-V1449 HydrophobicContact CD1-CB 4.04Å; L1424-V1449 HydrophobicContact CD1-CG1 3.52Å; L1424-Y1452 HydrophobicContact CB-CD1 4.36Å; L1424-Y1452 HydrophobicContact CB-CD2 3.4Å; L1424-Y1452 VanDerWaalsContact CB-CD2 3.4Å; L1424-Y1452 HydrophobicContact CB-CE2 3.8Å; L1424-Y1452 HydrophobicContact CB-CG 3.67Å; L1424-Y1452 HydrophobicContact CD1-CD1 3.85Å; L1424-Y1452 HydrophobicContact CD1-CD2 4.38Å; L1424-Y1452 HydrophobicContact CD1-CE1 4.39Å; L1424-Y1452 HydrophobicContact CD1-CG 3.81Å; L1424-Y1452 HydrophobicContact CD2-CE2 4.47Å; L1424-Y1452 HydrophobicContact CG-CD2 4.38Å; L1424-Y1452 HydrophobicContact CG-CG 4.3Å |
| 1425 | M | 86.8 | Confident | 85 | Confident | 66 Ų | 66 | 57.7 Ų | 57.7 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 172.7 | -73.1 | -176.6 | -173.7 | 0 | 0 | 111.7 | N1421 D1422 L1423 L1427 S1428 P1451 F1455 | N1421-M1425 WeakPolarHBondContact O-CG 3.34Å; N1421-M1425 PolarHBondContact O-N 3.26Å; D1422-M1425 PolarHBondContact O-N 3.14Å; L1423-M1425 VanDerWaalsContact C-N 3.31Å; L1423-M1425 PolarHBondContact O-N 2.84Å; M1425-L1427 VanDerWaalsContact C-N 3.34Å; M1425-L1427 PolarHBondContact O-N 3.32Å; M1425-S1428 WeakPolarHBondContact O-CB 3.26Å; M1425-S1428 PolarHBondContact O-N 2.93Å; M1425-S1428 PolarHBondContact O-OG 3.48Å; M1425-P1451 HydrophobicContact CE-CB 4.4Å; M1425-F1455 HydrophobicContact CB-CE1 4.49Å; M1425-F1455 HydrophobicContact CE-CB 4.35Å; M1425-F1455 HydrophobicContact CG-CD1 4.15Å; M1425-F1455 HydrophobicContact CG-CE1 4.43Å; M1425-F1455 HydrophobicContact CG-CG 4.27Å |
| 1426 | V | 86.1 | Confident | 85.2 | Confident | 60 Ų | 60 | 53.3 Ų | 53.3 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.4 | -36.4 | 177.6 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | T1397 D1422 L1423 S1428 P1429 | T1397-V1426 HydrophobicContact CG2-CG1 3.26Å; D1422-V1426 WeakPolarHBondContact O-CG2 3.38Å; D1422-V1426 PolarHBondContact O-N 2.91Å; D1422-V1426 VanDerWaalsContact O-N 3.16Å; L1423-V1426 PolarHBondContact O-N 2.94Å; V1426-S1428 VanDerWaalsContact C-N 3.33Å; V1426-P1429 WeakPolarHBondContact O-CD 3.5Å |
| 1427 | L | 86.2 | Confident | 85.1 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -81.1 | -9.7 | 178.5 | -66.4 | -179.2 | 0 | 0 | 0 | 113.9 | I1396 Y1405 L1423 L1424 M1425 P1429 R1430 L1431 | I1396-L1427 HydrophobicContact CB-CD2 4.45Å; I1396-L1427 HydrophobicContact CG1-CD1 4.5Å; I1396-L1427 HydrophobicContact CG1-CD2 3.88Å; I1396-L1427 HydrophobicContact CG2-CD2 3.84Å; Y1405-L1427 HydrophobicContact CD1-CD1 4.2Å; Y1405-L1427 HydrophobicContact CD1-CD2 3.68Å; Y1405-L1427 HydrophobicContact CE1-CD2 3.7Å; Y1405-L1427 HydrophobicContact CG-CD1 4.2Å; Y1405-L1427 HydrophobicContact CG-CD2 4.17Å; L1423-L1427 HydrophobicContact CD1-CD1 3.9Å; L1423-L1427 HydrophobicContact CD1-CG 4.13Å; L1423-L1427 HydrophobicContact CD2-CD1 4.27Å; L1423-L1427 HydrophobicContact CG-CD1 3.82Å; L1423-L1427 HydrophobicContact CG-CG 4.32Å; L1423-L1427 WeakPolarHBondContact O-CG 3.39Å; L1423-L1427 PolarHBondContact O-N 2.75Å; L1424-L1427 PolarHBondContact O-N 3.37Å; M1425-L1427 VanDerWaalsContact C-N 3.34Å; M1425-L1427 PolarHBondContact O-N 3.32Å; L1427-P1429 VanDerWaalsContact C-N 3.32Å; L1427-P1429 VanDerWaalsContact O-N 3.15Å; L1427-R1430 PolarHBondContact O-N 3.31Å; L1427-R1430 VanDerWaalsContact O-N 3.13Å; L1427-L1431 HydrophobicContact CB-CB 4.31Å; L1427-L1431 HydrophobicContact CB-CD2 4.46Å; L1427-L1431 WeakPolarHBondContact O-CB 3.43Å; L1427-L1431 PolarHBondContact O-N 2.92Å |
| 1428 | S | 83.9 | Confident | 85.3 | Confident | 21 Ų | 21 | 49.8 Ų | 49.8 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -36.7 | -171.7 | 83.7 | 0 | 0 | 0 | 0 | 115.1 | L1424 M1425 V1426 R1430 H1433 | L1424-S1428 PolarHBondContact O-N 2.94Å; M1425-S1428 WeakPolarHBondContact O-CB 3.26Å; M1425-S1428 PolarHBondContact O-N 2.93Å; M1425-S1428 PolarHBondContact O-OG 3.48Å; V1426-S1428 VanDerWaalsContact C-N 3.33Å; S1428-R1430 VanDerWaalsContact C-N 3.27Å; S1428-R1430 PolarHBondContact O-N 3.46Å; S1428-H1433 PolarHBondContact O-CE1 3.35Å |
| 1429 | P | 80.6 | Confident | 85.4 | Confident | 114 Ų | 114 | 44.5 Ų | 44.5 | 74% | 0.74 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -22.3 | -177.1 | -21 | 34.8 | 0 | 0 | 0 | 114.2 | V1426 L1427 | V1426-P1429 WeakPolarHBondContact O-CD 3.5Å; L1427-P1429 VanDerWaalsContact C-N 3.32Å; L1427-P1429 VanDerWaalsContact O-N 3.15Å |
| 1430 | R | 82.3 | Confident | 85.5 | Confident | 160 Ų | 160 | 42.7 Ų | 42.7 | 60% | 0.604 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.3 | -6.9 | -175.7 | -66.1 | -171.5 | 175.1 | -171 | -0.3 | 114.2 | Y1405 L1427 S1428 | Y1405-R1430 HydrophobicContact CE2-CB 3.77Å; L1427-R1430 PolarHBondContact O-N 3.31Å; L1427-R1430 VanDerWaalsContact O-N 3.13Å; S1428-R1430 VanDerWaalsContact C-N 3.27Å; S1428-R1430 PolarHBondContact O-N 3.46Å |
| 1431 | L | 83.7 | Confident | 85.4 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -84.7 | 128.7 | -178.1 | -176.5 | 65.7 | 0 | 0 | 0 | 110.7 | Y1405 Y1406 I1409 L1424 L1427 H1433 A1436 Y1452 | Y1405-L1431 HydrophobicContact CD2-CD1 4.31Å; Y1406-L1431 HydrophobicContact CE1-CD1 3.91Å; Y1406-L1431 HydrophobicContact CE2-CD1 4.48Å; I1409-L1431 HydrophobicContact CD1-CD1 3.98Å; I1409-L1431 HydrophobicContact CD1-CD2 4.01Å; L1424-L1431 HydrophobicContact CD2-CD2 3.77Å; L1427-L1431 HydrophobicContact CB-CB 4.31Å; L1427-L1431 HydrophobicContact CB-CD2 4.46Å; L1427-L1431 WeakPolarHBondContact O-CB 3.43Å; L1427-L1431 PolarHBondContact O-N 2.92Å; L1431-H1433 PolarHBondContact O-N 3.42Å; L1431-H1433 PolarHBondContact O-ND1 3.39Å; L1431-A1436 HydrophobicContact CD2-CB 3.98Å; L1431-A1436 HydrophobicContact CG-CB 4.22Å; L1431-Y1452 HydrophobicContact CD2-CE2 4.47Å; L1431-Y1452 WeakPolarHBondContact CD2-OH 3.21Å |
| 1432 | D | 85.9 | Confident | 85.3 | Confident | 80 Ų | 80 | 54.6 Ų | 54.6 | 43% | 0.428 | 27% | 0.271 | S | S | . | . | trans | -70 | 103.1 | 166.1 | 172.7 | 6.8 | 0 | 0 | 0 | 109.2 | Y1406 T1434 R1435 A1436 | Y1406-D1432 WeakPolarHBondContact OH-CB 3.03Å; Y1406-D1432 PolarHBondContact OH-O 2.91Å; Y1406-D1432 VanDerWaalsContact OH-O 3.13Å; D1432-T1434 PolarHBondContact O-N 3.16Å; D1432-T1434 WeakPolarHBondContact OD1-CA 3.45Å; D1432-T1434 VanDerWaalsContact OD1-CB 3.25Å; D1432-T1434 WeakPolarHBondContact OD1-CB 3.37Å; D1432-T1434 PolarHBondContact OD1-N 3.13Å; D1432-T1434 PolarHBondContact OD1-OG1 2.99Å; D1432-R1435 HydrophobicContact CB-CB 4.32Å; D1432-R1435 PolarHBondContact O-N 3.1Å; D1432-R1435 PolarHBondContact OD1-N 3.5Å; D1432-R1435 WeakPolarHBondContact OD2-CB 3.45Å; D1432-A1436 PolarHBondContact O-N 3.33Å | ||
| 1433 | H | 85.4 | Confident | 85.2 | Confident | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.046 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.2 | -31.7 | -179.4 | -51.7 | -55.4 | 0 | 0 | 0 | 112.4 | S1428 L1431 A1436 V1437 Y1452 V1456 N1460 V1466 | S1428-H1433 PolarHBondContact O-CE1 3.35Å; L1431-H1433 PolarHBondContact O-N 3.42Å; L1431-H1433 PolarHBondContact O-ND1 3.39Å; H1433-A1436 PolarHBondContact O-N 3.05Å; H1433-V1437 WeakPolarHBondContact O-CB 3.26Å; H1433-V1437 VanDerWaalsContact O-CG2 3.25Å; H1433-V1437 WeakPolarHBondContact O-CG2 3.41Å; H1433-V1437 PolarHBondContact O-N 3.23Å; H1433-Y1452 AromaticContact ND1-CZ 3.76Å; H1433-Y1452 PolarHBondContact ND1-OH 3.33Å; H1433-V1456 HydrophobicContact CB-CG1 4.11Å; H1433-V1456 VanDerWaalsContact CD2-CG1 3.47Å; H1433-V1456 WeakPolarHBondContact CD2-CG1 3.5Å; H1433-N1460 PolarHBondContact CD2-ND2 3.47Å; H1433-N1460 PolarHBondContact NE2-ND2 3.24Å; H1433-V1466 HydrophobicContact CB-CG2 3.83Å |
| 1434 | T | 85.2 | Confident | 85 | Confident | 53 Ų | 53 | 56 Ų | 56 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.9 | -46.4 | -179.4 | -46.7 | 0 | 0 | 0 | 0 | 111.3 | D1432 A1436 N1438 N1463 S1465 | D1432-T1434 PolarHBondContact O-N 3.16Å; D1432-T1434 WeakPolarHBondContact OD1-CA 3.45Å; D1432-T1434 VanDerWaalsContact OD1-CB 3.25Å; D1432-T1434 WeakPolarHBondContact OD1-CB 3.37Å; D1432-T1434 PolarHBondContact OD1-N 3.13Å; D1432-T1434 PolarHBondContact OD1-OG1 2.99Å; T1434-A1436 VanDerWaalsContact C-N 3.34Å; T1434-N1438 WeakPolarHBondContact O-CB 3.39Å; T1434-N1438 VanDerWaalsContact O-CG 3.31Å; T1434-N1438 PolarHBondContact O-N 3.5Å; T1434-N1438 VanDerWaalsContact O-N 3.07Å; T1434-N1438 PolarHBondContact O-ND2 2.72Å; T1434-N1463 PolarHBondContact OG1-ND2 3.36Å; T1434-S1465 WeakPolarHBondContact CA-OG 3.12Å |
| 1435 | R | 87 | Confident | 84.8 | Confident | 100 Ų | 100 | 60 Ų | 60 | 38% | 0.377 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.2 | -36.6 | 174.7 | -177.3 | 174 | 174.1 | -168.7 | -1 | 111.9 | E1403 Y1406 D1432 F1439 | E1403-R1435 VanDerWaalsContact CD-NH2 3.28Å; E1403-R1435 IonicContact OE1-CZ 2.75Å; E1403-R1435 VanDerWaalsContact OE1-CZ 3.3Å; E1403-R1435 IonicContact OE1-NH1 3.15Å; E1403-R1435 PolarHBondContact OE1-NH1 3.19Å; E1403-R1435 IonicContact OE1-NH2 3.04Å; E1403-R1435 PolarHBondContact OE1-NH2 3.21Å; E1403-R1435 IonicContact OE2-CZ 3.94Å; E1403-R1435 IonicContact OE2-NH1 3.51Å; E1403-R1435 IonicContact OE2-NH2 3.69Å; E1403-R1435 PolarHBondContact OE2-NH2 3Å; Y1406-R1435 HydrophobicContact CD1-CG 4.38Å; Y1406-R1435 HydrophobicContact CE1-CB 4.07Å; Y1406-R1435 HydrophobicContact CE1-CG 3.64Å; Y1406-R1435 HydrophobicContact CE2-CG 4.32Å; Y1406-R1435 VanDerWaalsContact CZ-CD 3.44Å; Y1406-R1435 WeakPolarHBondContact OH-CB 3.4Å; D1432-R1435 HydrophobicContact CB-CB 4.32Å; D1432-R1435 PolarHBondContact O-N 3.1Å; D1432-R1435 PolarHBondContact OD1-N 3.5Å; D1432-R1435 WeakPolarHBondContact OD2-CB 3.45Å; R1435-F1439 VanDerWaalsContact O-CB 3.31Å; R1435-F1439 WeakPolarHBondContact O-CB 3.29Å; R1435-F1439 PolarHBondContact O-N 3.05Å |
| 1436 | A | 85.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1406 L1431 D1432 H1433 T1434 F1439 F1440 | Y1406-A1436 HydrophobicContact CE1-CB 4.37Å; L1431-A1436 HydrophobicContact CD2-CB 3.98Å; L1431-A1436 HydrophobicContact CG-CB 4.22Å; D1432-A1436 PolarHBondContact O-N 3.33Å; H1433-A1436 PolarHBondContact O-N 3.05Å; T1434-A1436 VanDerWaalsContact C-N 3.34Å; A1436-F1439 WeakPolarHBondContact O-CB 3.45Å; A1436-F1439 PolarHBondContact O-N 3.25Å; A1436-F1440 HydrophobicContact CB-CE2 4.43Å; A1436-F1440 WeakPolarHBondContact O-CD2 3.2Å; A1436-F1440 PolarHBondContact O-N 3.27Å |
| 1437 | V | 85 | Confident | 84.4 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.7 | -50.4 | 175.2 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | H1433 F1439 F1440 I1441 I1446 L1453 V1466 A1469 | H1433-V1437 WeakPolarHBondContact O-CB 3.26Å; H1433-V1437 VanDerWaalsContact O-CG2 3.25Å; H1433-V1437 WeakPolarHBondContact O-CG2 3.41Å; H1433-V1437 PolarHBondContact O-N 3.23Å; V1437-F1439 PolarHBondContact O-N 3.31Å; V1437-F1440 PolarHBondContact O-N 3.5Å; V1437-F1440 VanDerWaalsContact O-N 3.08Å; V1437-I1441 HydrophobicContact CG1-CD1 3.63Å; V1437-I1441 HydrophobicContact CG1-CG1 4.23Å; V1437-I1441 WeakPolarHBondContact O-CG1 3.31Å; V1437-I1441 PolarHBondContact O-N 3.15Å; V1437-I1446 HydrophobicContact CG1-CD1 4.35Å; V1437-L1453 HydrophobicContact CG2-CD2 3.72Å; V1437-V1466 HydrophobicContact CG2-CB 4.45Å; V1437-V1466 HydrophobicContact CG2-CG2 3.72Å; V1437-A1469 HydrophobicContact CG1-CB 3.61Å |
| 1438 | N | 86.1 | Confident | 84.2 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.3 | -35.6 | 177.5 | -76.3 | -36.9 | 0 | 0 | 0 | 112.5 | T1434 K1442 | T1434-N1438 WeakPolarHBondContact O-CB 3.39Å; T1434-N1438 VanDerWaalsContact O-CG 3.31Å; T1434-N1438 PolarHBondContact O-N 3.5Å; T1434-N1438 VanDerWaalsContact O-N 3.07Å; T1434-N1438 PolarHBondContact O-ND2 2.72Å; N1438-K1442 WeakPolarHBondContact O-CB 3.19Å; N1438-K1442 VanDerWaalsContact O-CG 3.31Å; N1438-K1442 WeakPolarHBondContact O-CG 3.32Å; N1438-K1442 PolarHBondContact O-N 3.28Å; N1438-K1442 VanDerWaalsContact O-N 3.1Å |
| 1439 | F | 86.8 | Confident | 84.2 | Confident | 49 Ų | 49 | 61.1 Ų | 61.1 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.7 | -48.1 | 174.4 | 173.2 | -86.6 | 0 | 0 | 0 | 111.6 | I1409 Q1410 L1413 R1435 A1436 V1437 K1442 A1443 | I1409-F1439 HydrophobicContact CG2-CD1 3.93Å; I1409-F1439 HydrophobicContact CG2-CE1 3.49Å; I1409-F1439 VanDerWaalsContact CG2-CE1 3.49Å; I1409-F1439 HydrophobicContact CG2-CZ 4.21Å; Q1410-F1439 HydrophobicContact CB-CZ 3.99Å; L1413-F1439 HydrophobicContact CD2-CE1 4.49Å; R1435-F1439 VanDerWaalsContact O-CB 3.31Å; R1435-F1439 WeakPolarHBondContact O-CB 3.29Å; R1435-F1439 PolarHBondContact O-N 3.05Å; A1436-F1439 WeakPolarHBondContact O-CB 3.45Å; A1436-F1439 PolarHBondContact O-N 3.25Å; V1437-F1439 PolarHBondContact O-N 3.31Å; F1439-K1442 PolarHBondContact O-N 2.72Å; F1439-A1443 WeakPolarHBondContact O-CB 3.3Å; F1439-A1443 PolarHBondContact O-N 3.39Å |
| 1440 | F | 87.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.4 | -32.9 | 179.6 | -69.4 | -60.9 | 0 | 0 | 0 | 113.9 | I1409 L1420 L1424 A1436 V1437 A1443 G1444 H1445 I1446 V1449 | I1409-F1440 HydrophobicContact CG2-CE1 3.64Å; I1409-F1440 HydrophobicContact CG2-CE2 4.25Å; I1409-F1440 HydrophobicContact CG2-CZ 3.32Å; L1420-F1440 HydrophobicContact CD1-CE1 4.44Å; L1420-F1440 HydrophobicContact CD1-CZ 4.23Å; L1420-F1440 HydrophobicContact CD2-CE1 3.73Å; L1420-F1440 HydrophobicContact CD2-CZ 4.09Å; L1420-F1440 HydrophobicContact CG-CZ 4.45Å; L1424-F1440 HydrophobicContact CD1-CE2 3.85Å; L1424-F1440 HydrophobicContact CD1-CZ 3.77Å; L1424-F1440 HydrophobicContact CD2-CE2 4.06Å; L1424-F1440 HydrophobicContact CD2-CZ 4.09Å; L1424-F1440 HydrophobicContact CG-CZ 4.46Å; A1436-F1440 HydrophobicContact CB-CE2 4.43Å; A1436-F1440 WeakPolarHBondContact O-CD2 3.2Å; A1436-F1440 PolarHBondContact O-N 3.27Å; V1437-F1440 PolarHBondContact O-N 3.5Å; V1437-F1440 VanDerWaalsContact O-N 3.08Å; F1440-A1443 PolarHBondContact O-N 3.32Å; F1440-G1444 PolarHBondContact O-N 2.93Å; F1440-H1445 PolarHBondContact O-N 2.92Å; F1440-I1446 HydrophobicContact CB-CB 4.48Å; F1440-I1446 HydrophobicContact CB-CD1 3.72Å; F1440-V1449 HydrophobicContact CB-CG2 4.24Å; F1440-V1449 HydrophobicContact CD1-CG1 4.01Å; F1440-V1449 HydrophobicContact CD2-CB 4.43Å; F1440-V1449 HydrophobicContact CD2-CG1 4.07Å; F1440-V1449 HydrophobicContact CD2-CG2 3.84Å; F1440-V1449 HydrophobicContact CE1-CG1 3.79Å; F1440-V1449 HydrophobicContact CE2-CB 4.46Å; F1440-V1449 HydrophobicContact CE2-CG1 3.84Å; F1440-V1449 HydrophobicContact CE2-CG2 4.35Å; F1440-V1449 HydrophobicContact CG-CG1 4.16Å; F1440-V1449 HydrophobicContact CG-CG2 3.96Å; F1440-V1449 HydrophobicContact CZ-CG1 3.7Å |
| 1441 | I | 84.2 | Confident | 84.6 | Confident | 87 Ų | 87 | 52.8 Ų | 52.8 | 45% | 0.446 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.8 | -50.1 | 172.1 | -68.3 | 171.4 | 0 | 0 | 0 | 109.8 | V1437 A1443 G1444 I1446 A1469 | V1437-I1441 HydrophobicContact CG1-CD1 3.63Å; V1437-I1441 HydrophobicContact CG1-CG1 4.23Å; V1437-I1441 WeakPolarHBondContact O-CG1 3.31Å; V1437-I1441 PolarHBondContact O-N 3.15Å; I1441-A1443 VanDerWaalsContact C-N 3.26Å; I1441-A1443 PolarHBondContact O-N 2.99Å; I1441-G1444 PolarHBondContact O-N 3.48Å; I1441-I1446 HydrophobicContact CG1-CB 4.49Å; I1441-I1446 HydrophobicContact CG1-CD1 4.15Å; I1441-I1446 HydrophobicContact CG1-CG1 4.27Å; I1441-A1469 HydrophobicContact CD1-CB 4.39Å |
| 1442 | K | 85.6 | Confident | 84.6 | Confident | 189 Ų | 189 | 52.4 Ų | 52.4 | 82% | 0.822 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.3 | -33.7 | 177.4 | -75.1 | 179.1 | -178.7 | -179.1 | 0 | 112.8 | N1438 F1439 G1444 | N1438-K1442 WeakPolarHBondContact O-CB 3.19Å; N1438-K1442 VanDerWaalsContact O-CG 3.31Å; N1438-K1442 WeakPolarHBondContact O-CG 3.32Å; N1438-K1442 PolarHBondContact O-N 3.28Å; N1438-K1442 VanDerWaalsContact O-N 3.1Å; F1439-K1442 PolarHBondContact O-N 2.72Å; K1442-G1444 VanDerWaalsContact C-N 3.28Å |
| 1443 | A | 82.6 | Confident | 84.6 | Confident | 37 Ų | 37 | 48.6 Ų | 48.6 | 31% | 0.306 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -11 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1413 F1439 F1440 I1441 H1445 | L1413-A1443 HydrophobicContact CD2-CB 4.27Å; F1439-A1443 WeakPolarHBondContact O-CB 3.3Å; F1439-A1443 PolarHBondContact O-N 3.39Å; F1440-A1443 PolarHBondContact O-N 3.32Å; I1441-A1443 VanDerWaalsContact C-N 3.26Å; I1441-A1443 PolarHBondContact O-N 2.99Å; A1443-H1445 VanDerWaalsContact C-N 3.28Å; A1443-H1445 PolarHBondContact O-CD2 3.1Å; A1443-H1445 PolarHBondContact O-N 3.21Å |
| 1444 | G | 81.4 | Confident | 84.5 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 65% | 0.649 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 20.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F1440 I1441 K1442 | F1440-G1444 PolarHBondContact O-N 2.93Å; I1441-G1444 PolarHBondContact O-N 3.48Å; K1442-G1444 VanDerWaalsContact C-N 3.28Å |
| 1445 | H | 83.1 | Confident | 84.4 | Confident | 82 Ų | 82 | 53.6 Ų | 53.6 | 38% | 0.38 | 28% | 0.284 | S | S | . | . | trans | -120.8 | 23.9 | -172.2 | -69.1 | -53.6 | 0 | 0 | 0 | 113.1 | L1413 F1440 A1443 A1447 L1448 | L1413-H1445 HydrophobicContact CD1-CB 4.05Å; F1440-H1445 PolarHBondContact O-N 2.92Å; A1443-H1445 VanDerWaalsContact C-N 3.28Å; A1443-H1445 PolarHBondContact O-CD2 3.1Å; A1443-H1445 PolarHBondContact O-N 3.21Å; H1445-A1447 VanDerWaalsContact C-N 3.3Å; H1445-A1447 PolarHBondContact O-N 2.98Å; H1445-L1448 HydrophobicContact CB-CD1 3.9Å; H1445-L1448 WeakPolarHBondContact O-CB 3.41Å; H1445-L1448 PolarHBondContact O-N 2.93Å | ||
| 1446 | I | 83.6 | Confident | 84.2 | Confident | 30 Ų | 30 | 49 Ų | 49 | 15% | 0.154 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -62.4 | -33.5 | -175.3 | -165.9 | 66.1 | 0 | 0 | 0 | 113.3 | V1437 F1440 I1441 L1448 V1449 L1453 A1469 L1473 | V1437-I1446 HydrophobicContact CG1-CD1 4.35Å; F1440-I1446 HydrophobicContact CB-CB 4.48Å; F1440-I1446 HydrophobicContact CB-CD1 3.72Å; I1441-I1446 HydrophobicContact CG1-CB 4.49Å; I1441-I1446 HydrophobicContact CG1-CD1 4.15Å; I1441-I1446 HydrophobicContact CG1-CG1 4.27Å; I1446-L1448 VanDerWaalsContact C-N 3.27Å; I1446-L1448 PolarHBondContact O-N 2.95Å; I1446-V1449 HydrophobicContact CD1-CG2 3.91Å; I1446-V1449 WeakPolarHBondContact O-CG2 3.22Å; I1446-V1449 PolarHBondContact O-N 2.65Å; I1446-L1453 HydrophobicContact CD1-CD1 4.11Å; I1446-L1453 HydrophobicContact CG1-CD1 4.27Å; I1446-A1469 HydrophobicContact CD1-CB 4.2Å; I1446-A1469 HydrophobicContact CG1-CB 4.2Å; I1446-L1473 HydrophobicContact CG1-CD1 4.24Å; I1446-L1473 HydrophobicContact CG2-CD2 4.07Å; I1446-L1473 HydrophobicContact CG2-CG 4.43Å |
| 1447 | A | 80.1 | Confident | 84 | Confident | 67 Ų | 67 | 49.7 Ų | 49.7 | 55% | 0.554 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -62.3 | -31 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1445 V1449 K1450 L1473 | H1445-A1447 VanDerWaalsContact C-N 3.3Å; H1445-A1447 PolarHBondContact O-N 2.98Å; A1447-V1449 PolarHBondContact O-N 3.13Å; A1447-K1450 PolarHBondContact O-N 3.39Å; A1447-L1473 HydrophobicContact CB-CD2 3.91Å |
| 1448 | L | 82.1 | Confident | 83.7 | Confident | 78 Ų | 78 | 56.5 Ų | 56.5 | 41% | 0.408 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -66.3 | -25.9 | 179.1 | -79.7 | 149.8 | 0 | 0 | 0 | 112.6 | N1421 H1445 I1446 | N1421-L1448 PolarHBondContact ND2-O 3.39Å; H1445-L1448 HydrophobicContact CB-CD1 3.9Å; H1445-L1448 WeakPolarHBondContact O-CB 3.41Å; H1445-L1448 PolarHBondContact O-N 2.93Å; I1446-L1448 VanDerWaalsContact C-N 3.27Å; I1446-L1448 PolarHBondContact O-N 2.95Å |
| 1449 | V | 85.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -101.2 | 12.7 | -175.5 | -61.6 | 0 | 0 | 0 | 0 | 113.4 | L1420 N1421 L1424 F1440 I1446 A1447 P1451 Y1452 L1453 | L1420-V1449 HydrophobicContact CD2-CG1 3.65Å; L1420-V1449 HydrophobicContact CG-CG1 4.21Å; N1421-V1449 WeakPolarHBondContact OD1-CA 3.4Å; L1424-V1449 HydrophobicContact CD1-CB 4.04Å; L1424-V1449 HydrophobicContact CD1-CG1 3.52Å; F1440-V1449 HydrophobicContact CB-CG2 4.24Å; F1440-V1449 HydrophobicContact CD1-CG1 4.01Å; F1440-V1449 HydrophobicContact CD2-CB 4.43Å; F1440-V1449 HydrophobicContact CD2-CG1 4.07Å; F1440-V1449 HydrophobicContact CD2-CG2 3.84Å; F1440-V1449 HydrophobicContact CE1-CG1 3.79Å; F1440-V1449 HydrophobicContact CE2-CB 4.46Å; F1440-V1449 HydrophobicContact CE2-CG1 3.84Å; F1440-V1449 HydrophobicContact CE2-CG2 4.35Å; F1440-V1449 HydrophobicContact CG-CG1 4.16Å; F1440-V1449 HydrophobicContact CG-CG2 3.96Å; F1440-V1449 HydrophobicContact CZ-CG1 3.7Å; I1446-V1449 HydrophobicContact CD1-CG2 3.91Å; I1446-V1449 WeakPolarHBondContact O-CG2 3.22Å; I1446-V1449 PolarHBondContact O-N 2.65Å; A1447-V1449 PolarHBondContact O-N 3.13Å; V1449-P1451 VanDerWaalsContact C-CD 3.49Å; V1449-Y1452 HydrophobicContact CB-CD1 4.32Å; V1449-Y1452 WeakPolarHBondContact O-CA 3.2Å; V1449-Y1452 WeakPolarHBondContact O-CB 3.46Å; V1449-Y1452 PolarHBondContact O-N 2.99Å; V1449-L1453 HydrophobicContact CG2-CD1 4.5Å; V1449-L1453 HydrophobicContact CG2-CG 4.38Å; V1449-L1453 PolarHBondContact O-N 3.34Å |
| 1450 | K | 84.3 | Confident | 82.2 | Confident | 33 Ų | 33 | 59.3 Ų | 59.3 | 14% | 0.143 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -52 | -43 | 177.4 | -175.9 | -174.7 | -176 | -174.5 | 0 | 114 | A1447 Y1452 L1453 R1454 L1470 L1473 E1477 | A1447-K1450 PolarHBondContact O-N 3.39Å; K1450-Y1452 VanDerWaalsContact C-N 3.31Å; K1450-Y1452 PolarHBondContact O-N 2.82Å; K1450-L1453 PolarHBondContact O-N 3.41Å; K1450-R1454 PolarHBondContact O-N 3.29Å; K1450-L1470 HydrophobicContact CG-CD1 4.17Å; K1450-L1473 HydrophobicContact CB-CD1 4.4Å; K1450-E1477 IonicContact NZ-OE1 2.72Å; K1450-E1477 PolarHBondContact NZ-OE1 3.31Å; K1450-E1477 IonicContact NZ-OE2 2.92Å; K1450-E1477 PolarHBondContact NZ-OE2 3.21Å |
| 1451 | P | 85.5 | Confident | 81 | Confident | 65 Ų | 65 | 63 Ų | 63 | 42% | 0.422 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 174.7 | -24.1 | 33.9 | 0 | 0 | 0 | 112.9 | N1421 M1425 V1449 F1455 | N1421-P1451 HydrophobicContact CB-CB 4.42Å; N1421-P1451 WeakPolarHBondContact OD1-CD 3.3Å; M1425-P1451 HydrophobicContact CE-CB 4.4Å; V1449-P1451 VanDerWaalsContact C-CD 3.49Å; P1451-F1455 WeakPolarHBondContact O-CB 3.48Å; P1451-F1455 PolarHBondContact O-N 2.88Å |
| 1452 | Y | 84.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 173.5 | 161.5 | -103.6 | 0 | 0 | 0 | 112.4 | N1421 L1424 L1431 H1433 V1449 K1450 R1454 F1455 V1456 | N1421-Y1452 PolarHBondContact OD1-N 3.46Å; L1424-Y1452 HydrophobicContact CB-CD1 4.36Å; L1424-Y1452 HydrophobicContact CB-CD2 3.4Å; L1424-Y1452 VanDerWaalsContact CB-CD2 3.4Å; L1424-Y1452 HydrophobicContact CB-CE2 3.8Å; L1424-Y1452 HydrophobicContact CB-CG 3.67Å; L1424-Y1452 HydrophobicContact CD1-CD1 3.85Å; L1424-Y1452 HydrophobicContact CD1-CD2 4.38Å; L1424-Y1452 HydrophobicContact CD1-CE1 4.39Å; L1424-Y1452 HydrophobicContact CD1-CG 3.81Å; L1424-Y1452 HydrophobicContact CD2-CE2 4.47Å; L1424-Y1452 HydrophobicContact CG-CD2 4.38Å; L1424-Y1452 HydrophobicContact CG-CG 4.3Å; L1431-Y1452 HydrophobicContact CD2-CE2 4.47Å; L1431-Y1452 WeakPolarHBondContact CD2-OH 3.21Å; H1433-Y1452 AromaticContact ND1-CZ 3.76Å; H1433-Y1452 PolarHBondContact ND1-OH 3.33Å; V1449-Y1452 HydrophobicContact CB-CD1 4.32Å; V1449-Y1452 WeakPolarHBondContact O-CA 3.2Å; V1449-Y1452 WeakPolarHBondContact O-CB 3.46Å; V1449-Y1452 PolarHBondContact O-N 2.99Å; K1450-Y1452 VanDerWaalsContact C-N 3.31Å; K1450-Y1452 PolarHBondContact O-N 2.82Å; Y1452-R1454 VanDerWaalsContact C-N 3.31Å; Y1452-R1454 PolarHBondContact O-N 3.48Å; Y1452-F1455 PolarHBondContact O-N 3.01Å; Y1452-V1456 HydrophobicContact CD2-CG2 3.63Å; Y1452-V1456 HydrophobicContact CE1-CG2 4.25Å; Y1452-V1456 HydrophobicContact CE2-CG2 3.22Å; Y1452-V1456 HydrophobicContact CG-CG2 4.35Å; Y1452-V1456 WeakPolarHBondContact O-CG2 3.4Å; Y1452-V1456 PolarHBondContact O-N 3.13Å |
| 1453 | L | 85.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 177.2 | -63.5 | 177.6 | 0 | 0 | 0 | 111.4 | V1437 I1446 V1449 K1450 Q1457 V1466 A1469 L1470 L1473 | V1437-L1453 HydrophobicContact CG2-CD2 3.72Å; I1446-L1453 HydrophobicContact CD1-CD1 4.11Å; I1446-L1453 HydrophobicContact CG1-CD1 4.27Å; V1449-L1453 HydrophobicContact CG2-CD1 4.5Å; V1449-L1453 HydrophobicContact CG2-CG 4.38Å; V1449-L1453 PolarHBondContact O-N 3.34Å; K1450-L1453 PolarHBondContact O-N 3.41Å; L1453-Q1457 WeakPolarHBondContact O-CB 3.36Å; L1453-Q1457 PolarHBondContact O-N 3.05Å; L1453-V1466 HydrophobicContact CB-CG1 4.27Å; L1453-V1466 HydrophobicContact CD2-CG1 4.01Å; L1453-A1469 HydrophobicContact CD1-CB 4.41Å; L1453-L1470 HydrophobicContact CB-CD1 4.2Å; L1453-L1473 HydrophobicContact CD1-CD1 3.88Å |
| 1454 | R | 83.7 | Confident | 79.9 | Confident | 104 Ų | 104 | 56.2 Ų | 56.2 | 39% | 0.392 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 174.5 | -74.4 | -176.7 | 172.2 | -179.8 | -3.5 | 112.3 | K1450 Y1452 Q1457 Q1458 L1470 | K1450-R1454 PolarHBondContact O-N 3.29Å; Y1452-R1454 VanDerWaalsContact C-N 3.31Å; Y1452-R1454 PolarHBondContact O-N 3.48Å; R1454-Q1457 PolarHBondContact O-N 3.34Å; R1454-Q1458 WeakPolarHBondContact O-CG 2.87Å; R1454-Q1458 PolarHBondContact O-N 3.43Å; R1454-L1470 HydrophobicContact CG-CD1 4.2Å; R1454-L1470 HydrophobicContact CG-CD2 4.33Å |
| 1455 | F | 82.6 | Confident | 80 | Confident | 63 Ų | 63 | 53.8 Ų | 53.8 | 28% | 0.276 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 178.1 | 178.7 | -98.8 | 0 | 0 | 0 | 112.2 | M1425 P1451 Y1452 Q1458 N1459 | M1425-F1455 HydrophobicContact CB-CE1 4.49Å; M1425-F1455 HydrophobicContact CE-CB 4.35Å; M1425-F1455 HydrophobicContact CG-CD1 4.15Å; M1425-F1455 HydrophobicContact CG-CE1 4.43Å; M1425-F1455 HydrophobicContact CG-CG 4.27Å; P1451-F1455 WeakPolarHBondContact O-CB 3.48Å; P1451-F1455 PolarHBondContact O-N 2.88Å; Y1452-F1455 PolarHBondContact O-N 3.01Å; F1455-Q1458 PolarHBondContact O-N 3.11Å; F1455-N1459 WeakPolarHBondContact CD2-ND2 3.27Å; F1455-N1459 WeakPolarHBondContact CE1-ND2 3.31Å; F1455-N1459 WeakPolarHBondContact CE2-ND2 3.44Å; F1455-N1459 WeakPolarHBondContact CZ-ND2 3.32Å; F1455-N1459 WeakPolarHBondContact O-CB 3.4Å; F1455-N1459 PolarHBondContact O-N 3.19Å; F1455-N1459 PolarHBondContact O-ND2 2.94Å |
| 1456 | V | 82 | Confident | 80 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | H1433 Y1452 Q1458 N1459 N1460 V1466 | H1433-V1456 HydrophobicContact CB-CG1 4.11Å; H1433-V1456 VanDerWaalsContact CD2-CG1 3.47Å; H1433-V1456 WeakPolarHBondContact CD2-CG1 3.5Å; Y1452-V1456 HydrophobicContact CD2-CG2 3.63Å; Y1452-V1456 HydrophobicContact CE1-CG2 4.25Å; Y1452-V1456 HydrophobicContact CE2-CG2 3.22Å; Y1452-V1456 HydrophobicContact CG-CG2 4.35Å; Y1452-V1456 WeakPolarHBondContact O-CG2 3.4Å; Y1452-V1456 PolarHBondContact O-N 3.13Å; V1456-Q1458 VanDerWaalsContact C-N 3.3Å; V1456-Q1458 PolarHBondContact O-N 3.11Å; V1456-N1459 PolarHBondContact O-N 3.38Å; V1456-N1460 HydrophobicContact CG1-CB 4.11Å; V1456-N1460 WeakPolarHBondContact O-CA 3.48Å; V1456-N1460 VanDerWaalsContact O-CB 3.3Å; V1456-N1460 WeakPolarHBondContact O-CB 3.3Å; V1456-N1460 PolarHBondContact O-N 2.86Å; V1456-V1466 HydrophobicContact CB-CG1 4.42Å; V1456-V1466 HydrophobicContact CG1-CG1 4.25Å; V1456-V1466 HydrophobicContact CG1-CG2 3.99Å |
| 1457 | Q | 81.3 | Confident | 80.1 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 177.1 | -174.6 | -175.7 | 54.1 | 0 | 0 | 111.2 | L1453 R1454 V1466 N1467 L1470 S1486 H1490 | L1453-Q1457 WeakPolarHBondContact O-CB 3.36Å; L1453-Q1457 PolarHBondContact O-N 3.05Å; R1454-Q1457 PolarHBondContact O-N 3.34Å; Q1457-V1466 HydrophobicContact CB-CG1 4.29Å; Q1457-N1467 PolarHBondContact NE2-OD1 2.99Å; Q1457-L1470 VanDerWaalsContact CD-CD2 3.48Å; Q1457-S1486 PolarHBondContact NE2-OG 3.27Å; Q1457-H1490 VanDerWaalsContact CD-CE1 3.45Å; Q1457-H1490 HydrophobicContact CG-CB 4.42Å; Q1457-H1490 WeakPolarHBondContact CG-CE1 3.45Å; Q1457-H1490 VanDerWaalsContact CG-ND1 3.3Å; Q1457-H1490 WeakPolarHBondContact CG-ND1 3.47Å; Q1457-H1490 PolarHBondContact NE2-ND1 3.38Å; Q1457-H1490 VanDerWaalsContact NE2-ND1 3.15Å; Q1457-H1490 PolarHBondContact O-NE2 2.87Å |
| 1458 | Q | 78.9 | Confident | 80.3 | Confident | 143 Ų | 143 | 48.2 Ų | 48.2 | 67% | 0.668 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -69.9 | -37.8 | 178.3 | -73 | 175.3 | -5.7 | 0 | 0 | 113.7 | R1454 F1455 V1456 | R1454-Q1458 WeakPolarHBondContact O-CG 2.87Å; R1454-Q1458 PolarHBondContact O-N 3.43Å; F1455-Q1458 PolarHBondContact O-N 3.11Å; V1456-Q1458 VanDerWaalsContact C-N 3.3Å; V1456-Q1458 PolarHBondContact O-N 3.11Å |
| 1459 | N | 76.5 | Confident | 80.4 | Confident | 107 Ų | 107 | 44.8 Ų | 44.8 | 57% | 0.572 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -94.1 | -24.5 | -173.5 | -71.1 | -26.5 | 0 | 0 | 0 | 114.4 | F1455 V1456 | F1455-N1459 WeakPolarHBondContact CD2-ND2 3.27Å; F1455-N1459 WeakPolarHBondContact CE1-ND2 3.31Å; F1455-N1459 WeakPolarHBondContact CE2-ND2 3.44Å; F1455-N1459 WeakPolarHBondContact CZ-ND2 3.32Å; F1455-N1459 WeakPolarHBondContact O-CB 3.4Å; F1455-N1459 PolarHBondContact O-N 3.19Å; F1455-N1459 PolarHBondContact O-ND2 2.94Å; V1456-N1459 PolarHBondContact O-N 3.38Å |
| 1460 | N | 65.1 | Low | 80.4 | Confident | 80 Ų | 80 | 44.9 Ų | 44.9 | 43% | 0.428 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -122 | 85.8 | -174.4 | -153.7 | -13.6 | 0 | 0 | 0 | 108.6 | H1433 V1456 N1462 | H1433-N1460 PolarHBondContact CD2-ND2 3.47Å; H1433-N1460 PolarHBondContact NE2-ND2 3.24Å; V1456-N1460 HydrophobicContact CG1-CB 4.11Å; V1456-N1460 WeakPolarHBondContact O-CA 3.48Å; V1456-N1460 VanDerWaalsContact O-CB 3.3Å; V1456-N1460 WeakPolarHBondContact O-CB 3.3Å; V1456-N1460 PolarHBondContact O-N 2.86Å; N1460-N1462 PolarHBondContact O-N 3.44Å |
| 1461 | A | 61.9 | Low | 80.4 | Confident | 76 Ų | 76 | 43.3 Ų | 43.3 | 63% | 0.628 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51 | -11.7 | -147.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 1462 | N | 68.8 | Low | 80.3 | Confident | 52 Ų | 52 | 43.3 Ų | 43.3 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -168.6 | 58.7 | 178.6 | -130.2 | -8.1 | 0 | 0 | 0 | 115.5 | N1460 K1464 N1467 H1490 S1491 N1492 | N1460-N1462 PolarHBondContact O-N 3.44Å; N1462-K1464 PolarHBondContact O-N 2.97Å; N1462-N1467 PolarHBondContact OD1-ND2 3.17Å; N1462-H1490 WeakPolarHBondContact OD1-CA 3.33Å; N1462-S1491 PolarHBondContact ND2-N 2.8Å; N1462-S1491 PolarHBondContact ND2-OG 3.1Å; N1462-S1491 VanDerWaalsContact ND2-OG 3.11Å; N1462-S1491 PolarHBondContact OD1-N 2.92Å; N1462-S1491 VanDerWaalsContact OD1-N 3.11Å; N1462-N1492 HydrophobicContact CB-CB 3.73Å; N1462-N1492 VanDerWaalsContact CG-N 3.26Å; N1462-N1492 WeakPolarHBondContact ND2-CB 3.49Å; N1462-N1492 PolarHBondContact ND2-N 2.93Å; N1462-N1492 VanDerWaalsContact ND2-N 3.18Å; N1462-N1492 VanDerWaalsContact O-CB 3.31Å; N1462-N1492 WeakPolarHBondContact O-CB 3.09Å; N1462-N1492 PolarHBondContact O-ND2 3.49Å; N1462-N1492 VanDerWaalsContact OD1-CB 3.24Å; N1462-N1492 WeakPolarHBondContact OD1-CB 2.95Å; N1462-N1492 PolarHBondContact OD1-N 3.41Å |
| 1463 | N | 79.6 | Confident | 80.3 | Confident | 28 Ų | 28 | 43.6 Ų | 43.6 | 15% | 0.15 | 22% | 0.223 | C | C | . | . | trans | -80.2 | 119 | 174.2 | -173.4 | -53.9 | 0 | 0 | 0 | 112 | T1434 S1465 V1466 N1467 | T1434-N1463 PolarHBondContact OG1-ND2 3.36Å; N1463-S1465 PolarHBondContact O-N 3.43Å; N1463-S1465 PolarHBondContact OD1-N 3.38Å; N1463-S1465 PolarHBondContact OD1-OG 2.72Å; N1463-V1466 HydrophobicContact CB-CB 4.12Å; N1463-V1466 HydrophobicContact CB-CG2 3.94Å; N1463-V1466 PolarHBondContact O-N 3.19Å; N1463-V1466 PolarHBondContact OD1-N 2.97Å; N1463-N1467 PolarHBondContact O-N 2.73Å; N1463-N1467 PolarHBondContact O-ND2 2.74Å | ||
| 1464 | K | 82.9 | Confident | 80.3 | Confident | 91 Ų | 91 | 43.7 Ų | 43.7 | 40% | 0.396 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -49.5 | -54.5 | -179 | 178.3 | 170.1 | -176.5 | -177.1 | 0 | 114.5 | N1462 V1466 N1467 E1468 N1492 | N1462-K1464 PolarHBondContact O-N 2.97Å; K1464-V1466 VanDerWaalsContact C-N 3.34Å; K1464-V1466 PolarHBondContact O-N 2.92Å; K1464-N1467 PolarHBondContact O-N 2.95Å; K1464-E1468 VanDerWaalsContact CE-CD 3.45Å; K1464-E1468 WeakPolarHBondContact CE-OE1 3.15Å; K1464-E1468 WeakPolarHBondContact CE-OE2 3.18Å; K1464-E1468 HydrophobicContact CG-CG 4.42Å; K1464-E1468 IonicContact NZ-OE1 3.43Å; K1464-E1468 WeakPolarHBondContact O-CB 3.19Å; K1464-E1468 WeakPolarHBondContact O-CG 3.25Å; K1464-E1468 PolarHBondContact O-N 3.35Å; K1464-N1492 WeakPolarHBondContact CA-O 3.31Å |
| 1465 | S | 82.9 | Confident | 80.3 | Confident | 13 Ų | 13 | 39.6 Ų | 39.6 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.3 | -36.2 | -175.9 | 63.4 | 0 | 0 | 0 | 0 | 113 | T1434 N1463 A1469 | T1434-S1465 WeakPolarHBondContact CA-OG 3.12Å; N1463-S1465 PolarHBondContact O-N 3.43Å; N1463-S1465 PolarHBondContact OD1-N 3.38Å; N1463-S1465 PolarHBondContact OD1-OG 2.72Å; S1465-A1469 VanDerWaalsContact O-CB 3.25Å; S1465-A1469 WeakPolarHBondContact O-CB 3.4Å; S1465-A1469 PolarHBondContact O-N 3.06Å |
| 1466 | V | 83.7 | Confident | 80.3 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.5 | -45.6 | 177.9 | 175.3 | 0 | 0 | 0 | 0 | 109.8 | H1433 V1437 L1453 V1456 Q1457 N1463 K1464 L1470 | H1433-V1466 HydrophobicContact CB-CG2 3.83Å; V1437-V1466 HydrophobicContact CG2-CB 4.45Å; V1437-V1466 HydrophobicContact CG2-CG2 3.72Å; L1453-V1466 HydrophobicContact CB-CG1 4.27Å; L1453-V1466 HydrophobicContact CD2-CG1 4.01Å; V1456-V1466 HydrophobicContact CB-CG1 4.42Å; V1456-V1466 HydrophobicContact CG1-CG1 4.25Å; V1456-V1466 HydrophobicContact CG1-CG2 3.99Å; Q1457-V1466 HydrophobicContact CB-CG1 4.29Å; N1463-V1466 HydrophobicContact CB-CB 4.12Å; N1463-V1466 HydrophobicContact CB-CG2 3.94Å; N1463-V1466 PolarHBondContact O-N 3.19Å; N1463-V1466 PolarHBondContact OD1-N 2.97Å; K1464-V1466 VanDerWaalsContact C-N 3.34Å; K1464-V1466 PolarHBondContact O-N 2.92Å; V1466-L1470 VanDerWaalsContact O-CB 3.23Å; V1466-L1470 WeakPolarHBondContact O-CB 3.12Å; V1466-L1470 PolarHBondContact O-N 3.36Å |
| 1467 | N | 84.3 | Confident | 80.2 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 177.2 | -70.4 | -24.4 | 0 | 0 | 0 | 111.4 | Q1457 N1462 N1463 K1464 L1470 N1471 H1490 N1492 F1493 | Q1457-N1467 PolarHBondContact NE2-OD1 2.99Å; N1462-N1467 PolarHBondContact OD1-ND2 3.17Å; N1463-N1467 PolarHBondContact O-N 2.73Å; N1463-N1467 PolarHBondContact O-ND2 2.74Å; K1464-N1467 PolarHBondContact O-N 2.95Å; N1467-L1470 PolarHBondContact O-N 3.5Å; N1467-N1471 WeakPolarHBondContact O-CB 3.19Å; N1467-N1471 PolarHBondContact O-N 3.42Å; N1467-N1471 PolarHBondContact O-ND2 2.89Å; N1467-N1471 PolarHBondContact O-OD1 3.03Å; N1467-H1490 WeakPolarHBondContact OD1-CB 3.19Å; N1467-N1492 PolarHBondContact ND2-O 3.37Å; N1467-F1493 HydrophobicContact CB-CB 4.18Å; N1467-F1493 HydrophobicContact CB-CD1 4.35Å |
| 1468 | E | 85.2 | Confident | 80.2 | Confident | 60 Ų | 60 | 53.6 Ų | 53.6 | 28% | 0.28 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.3 | -50.4 | 178.1 | -73 | 174.9 | 166.2 | 0 | 0 | 111.4 | K1464 L1470 N1471 D1472 F1493 D1494 | K1464-E1468 VanDerWaalsContact CE-CD 3.45Å; K1464-E1468 WeakPolarHBondContact CE-OE1 3.15Å; K1464-E1468 WeakPolarHBondContact CE-OE2 3.18Å; K1464-E1468 HydrophobicContact CG-CG 4.42Å; K1464-E1468 IonicContact NZ-OE1 3.43Å; K1464-E1468 WeakPolarHBondContact O-CB 3.19Å; K1464-E1468 WeakPolarHBondContact O-CG 3.25Å; K1464-E1468 PolarHBondContact O-N 3.35Å; E1468-L1470 VanDerWaalsContact C-N 3.33Å; E1468-L1470 PolarHBondContact O-N 3.31Å; E1468-N1471 PolarHBondContact O-N 3.49Å; E1468-D1472 PolarHBondContact O-N 3.08Å; E1468-F1493 HydrophobicContact CG-CB 3.69Å; E1468-D1494 PolarHBondContact OE1-N 2.99Å |
| 1469 | A | 84.2 | Confident | 80.5 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.8 | -36.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1437 I1441 I1446 L1453 S1465 L1473 | V1437-A1469 HydrophobicContact CG1-CB 3.61Å; I1441-A1469 HydrophobicContact CD1-CB 4.39Å; I1446-A1469 HydrophobicContact CD1-CB 4.2Å; I1446-A1469 HydrophobicContact CG1-CB 4.2Å; L1453-A1469 HydrophobicContact CD1-CB 4.41Å; S1465-A1469 VanDerWaalsContact O-CB 3.25Å; S1465-A1469 WeakPolarHBondContact O-CB 3.4Å; S1465-A1469 PolarHBondContact O-N 3.06Å; A1469-L1473 WeakPolarHBondContact O-CG 3.35Å; A1469-L1473 PolarHBondContact O-N 3.27Å; A1469-L1473 VanDerWaalsContact O-N 3.15Å |
| 1470 | L | 84.9 | Confident | 80.8 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.6 | -41.3 | 175.1 | -174.8 | 66.2 | 0 | 0 | 0 | 111.1 | K1450 L1453 R1454 Q1457 V1466 N1467 E1468 D1472 L1473 L1474 | K1450-L1470 HydrophobicContact CG-CD1 4.17Å; L1453-L1470 HydrophobicContact CB-CD1 4.2Å; R1454-L1470 HydrophobicContact CG-CD1 4.2Å; R1454-L1470 HydrophobicContact CG-CD2 4.33Å; Q1457-L1470 VanDerWaalsContact CD-CD2 3.48Å; V1466-L1470 VanDerWaalsContact O-CB 3.23Å; V1466-L1470 WeakPolarHBondContact O-CB 3.12Å; V1466-L1470 PolarHBondContact O-N 3.36Å; N1467-L1470 PolarHBondContact O-N 3.5Å; E1468-L1470 VanDerWaalsContact C-N 3.33Å; E1468-L1470 PolarHBondContact O-N 3.31Å; L1470-D1472 VanDerWaalsContact C-N 3.35Å; L1470-L1473 PolarHBondContact O-N 3.28Å; L1470-L1474 HydrophobicContact CG-CD1 4.08Å; L1470-L1474 HydrophobicContact CG-CG 4.42Å; L1470-L1474 WeakPolarHBondContact O-CG 3.31Å; L1470-L1474 PolarHBondContact O-N 2.91Å |
| 1471 | N | 84.3 | Confident | 81.7 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 177.4 | -70.8 | -13 | 0 | 0 | 0 | 110.8 | N1467 E1468 L1473 L1474 I1475 L1483 S1486 L1498 | N1467-N1471 WeakPolarHBondContact O-CB 3.19Å; N1467-N1471 PolarHBondContact O-N 3.42Å; N1467-N1471 PolarHBondContact O-ND2 2.89Å; N1467-N1471 PolarHBondContact O-OD1 3.03Å; E1468-N1471 PolarHBondContact O-N 3.49Å; N1471-L1473 PolarHBondContact O-N 3.34Å; N1471-L1474 PolarHBondContact O-N 3.37Å; N1471-I1475 VanDerWaalsContact O-CG1 3.24Å; N1471-I1475 WeakPolarHBondContact O-CG1 3.25Å; N1471-I1475 PolarHBondContact O-N 3.28Å; N1471-L1483 HydrophobicContact CB-CD1 3.55Å; N1471-L1483 WeakPolarHBondContact OD1-CD1 3.04Å; N1471-S1486 WeakPolarHBondContact OD1-CB 3.47Å; N1471-S1486 PolarHBondContact OD1-OG 3.4Å; N1471-L1498 HydrophobicContact CB-CD2 4.47Å |
| 1472 | D | 84.2 | Confident | 82.6 | Confident | 64 Ų | 64 | 48.1 Ų | 48.1 | 34% | 0.342 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 174.7 | -72.5 | -27.9 | 0 | 0 | 0 | 111.6 | E1468 L1470 L1474 I1475 E1476 | E1468-D1472 PolarHBondContact O-N 3.08Å; L1470-D1472 VanDerWaalsContact C-N 3.35Å; D1472-L1474 VanDerWaalsContact C-N 3.33Å; D1472-L1474 PolarHBondContact O-N 2.88Å; D1472-I1475 WeakPolarHBondContact O-CB 3.32Å; D1472-I1475 PolarHBondContact O-N 3.31Å; D1472-E1476 WeakPolarHBondContact O-CG 3.44Å; D1472-E1476 PolarHBondContact O-N 3.47Å |
| 1473 | L | 84.6 | Confident | 83.3 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -39.4 | 175 | -77.5 | 174.5 | 0 | 0 | 0 | 112.7 | I1446 A1447 K1450 L1453 A1469 L1470 N1471 I1475 E1476 E1477 | I1446-L1473 HydrophobicContact CG1-CD1 4.24Å; I1446-L1473 HydrophobicContact CG2-CD2 4.07Å; I1446-L1473 HydrophobicContact CG2-CG 4.43Å; A1447-L1473 HydrophobicContact CB-CD2 3.91Å; K1450-L1473 HydrophobicContact CB-CD1 4.4Å; L1453-L1473 HydrophobicContact CD1-CD1 3.88Å; A1469-L1473 WeakPolarHBondContact O-CG 3.35Å; A1469-L1473 PolarHBondContact O-N 3.27Å; A1469-L1473 VanDerWaalsContact O-N 3.15Å; L1470-L1473 PolarHBondContact O-N 3.28Å; N1471-L1473 PolarHBondContact O-N 3.34Å; L1473-I1475 VanDerWaalsContact C-N 3.34Å; L1473-E1476 PolarHBondContact O-N 3.48Å; L1473-E1477 WeakPolarHBondContact O-CB 3.49Å; L1473-E1477 VanDerWaalsContact O-CG 3.32Å; L1473-E1477 WeakPolarHBondContact O-CG 3.2Å; L1473-E1477 PolarHBondContact O-N 2.95Å |
| 1474 | L | 84.4 | Confident | 83.3 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.3 | -30.5 | 178 | -67.3 | 172.2 | 0 | 0 | 0 | 112.2 | L1470 N1471 D1472 E1478 D1479 A1482 L1483 | L1470-L1474 HydrophobicContact CG-CD1 4.08Å; L1470-L1474 HydrophobicContact CG-CG 4.42Å; L1470-L1474 WeakPolarHBondContact O-CG 3.31Å; L1470-L1474 PolarHBondContact O-N 2.91Å; N1471-L1474 PolarHBondContact O-N 3.37Å; D1472-L1474 VanDerWaalsContact C-N 3.33Å; D1472-L1474 PolarHBondContact O-N 2.88Å; L1474-E1478 PolarHBondContact O-N 3.36Å; L1474-D1479 HydrophobicContact CD2-CB 4.26Å; L1474-D1479 PolarHBondContact O-N 2.86Å; L1474-A1482 HydrophobicContact CD1-CB 4.07Å; L1474-A1482 HydrophobicContact CD2-CB 3.75Å; L1474-L1483 HydrophobicContact CB-CB 4.2Å; L1474-L1483 HydrophobicContact CB-CD1 4.31Å; L1474-L1483 HydrophobicContact CD1-CB 4.43Å; L1474-L1483 HydrophobicContact CD1-CD1 4.47Å |
| 1475 | I | 83.8 | Confident | 83.2 | Confident | 18 Ų | 18 | 51.6 Ų | 51.6 | 9% | 0.092 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.7 | -47 | 171.4 | -67.4 | 162.3 | 0 | 0 | 0 | 110.1 | N1471 D1472 L1473 E1477 E1478 L1483 L1498 L1502 F1510 | N1471-I1475 VanDerWaalsContact O-CG1 3.24Å; N1471-I1475 WeakPolarHBondContact O-CG1 3.25Å; N1471-I1475 PolarHBondContact O-N 3.28Å; D1472-I1475 WeakPolarHBondContact O-CB 3.32Å; D1472-I1475 PolarHBondContact O-N 3.31Å; L1473-I1475 VanDerWaalsContact C-N 3.34Å; I1475-E1477 PolarHBondContact O-N 3.27Å; I1475-E1478 PolarHBondContact O-N 2.95Å; I1475-L1483 HydrophobicContact CD1-CD2 4.44Å; I1475-L1483 HydrophobicContact CG1-CD2 3.79Å; I1475-L1498 HydrophobicContact CD1-CD1 3.51Å; I1475-L1502 HydrophobicContact CD1-CD2 3.94Å; I1475-L1502 HydrophobicContact CG1-CD2 3.98Å; I1475-F1510 HydrophobicContact CG1-CE1 4.48Å |
| 1476 | E | 81.9 | Confident | 83 | Confident | 157 Ų | 157 | 51.2 Ų | 51.2 | 73% | 0.734 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.9 | -33 | 177.3 | -73.8 | -177.1 | 174 | 0 | 0 | 112.8 | D1472 L1473 E1478 | D1472-E1476 WeakPolarHBondContact O-CG 3.44Å; D1472-E1476 PolarHBondContact O-N 3.47Å; L1473-E1476 PolarHBondContact O-N 3.48Å; E1476-E1478 VanDerWaalsContact C-N 3.35Å |
| 1477 | E | 80.8 | Confident | 82.9 | Confident | 96 Ų | 96 | 51.7 Ų | 51.7 | 45% | 0.449 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -3.5 | 175.9 | -70.6 | 177 | 175.9 | 0 | 0 | 114.4 | K1450 L1473 I1475 D1479 | K1450-E1477 IonicContact NZ-OE1 2.72Å; K1450-E1477 PolarHBondContact NZ-OE1 3.31Å; K1450-E1477 IonicContact NZ-OE2 2.92Å; K1450-E1477 PolarHBondContact NZ-OE2 3.21Å; L1473-E1477 WeakPolarHBondContact O-CB 3.49Å; L1473-E1477 VanDerWaalsContact O-CG 3.32Å; L1473-E1477 WeakPolarHBondContact O-CG 3.2Å; L1473-E1477 PolarHBondContact O-N 2.95Å; I1475-E1477 PolarHBondContact O-N 3.27Å; E1477-D1479 PolarHBondContact O-N 3.11Å |
| 1478 | E | 81.8 | Confident | 82.6 | Confident | 122 Ų | 122 | 56.9 Ų | 56.9 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 22.2 | -174.2 | -56 | -175.9 | 163 | 0 | 0 | 115.1 | L1474 I1475 E1476 Y1480 L1507 F1510 | L1474-E1478 PolarHBondContact O-N 3.36Å; I1475-E1478 PolarHBondContact O-N 2.95Å; E1476-E1478 VanDerWaalsContact C-N 3.35Å; E1478-Y1480 PolarHBondContact O-N 3.45Å; E1478-Y1480 VanDerWaalsContact O-N 3.08Å; E1478-L1507 HydrophobicContact CB-CD1 4.31Å; E1478-L1507 HydrophobicContact CG-CD1 4.45Å; E1478-F1510 HydrophobicContact CB-CE2 4.3Å |
| 1479 | D | 85.3 | Confident | 82.2 | Confident | 52 Ų | 52 | 58 Ų | 58 | 28% | 0.278 | 28% | 0.278 | S | S | . | . | trans | -85.3 | 78.6 | -179.7 | -170.9 | -9.7 | 0 | 0 | 0 | 111.9 | L1474 E1477 Q1481 A1482 L1483 | L1474-D1479 HydrophobicContact CD2-CB 4.26Å; L1474-D1479 PolarHBondContact O-N 2.86Å; E1477-D1479 PolarHBondContact O-N 3.11Å; D1479-Q1481 VanDerWaalsContact C-N 3.26Å; D1479-Q1481 PolarHBondContact O-N 2.97Å; D1479-Q1481 PolarHBondContact OD1-N 3.45Å; D1479-A1482 HydrophobicContact CB-CB 4.33Å; D1479-A1482 VanDerWaalsContact CG-CB 3.41Å; D1479-A1482 WeakPolarHBondContact OD1-CB 3.5Å; D1479-A1482 PolarHBondContact OD1-N 2.68Å; D1479-A1482 WeakPolarHBondContact OD2-CB 3.18Å; D1479-L1483 WeakPolarHBondContact O-CB 3.35Å; D1479-L1483 PolarHBondContact O-N 3.15Å | ||
| 1480 | Y | 81.4 | Confident | 81.8 | Confident | 95 Ų | 95 | 58.8 Ų | 58.8 | 37% | 0.373 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.3 | -27 | -179.9 | 72.1 | -89.2 | 0 | 0 | 0 | 113.7 | E1478 R1484 E1509 | E1478-Y1480 PolarHBondContact O-N 3.45Å; E1478-Y1480 VanDerWaalsContact O-N 3.08Å; Y1480-R1484 VanDerWaalsContact O-CB 3.3Å; Y1480-R1484 WeakPolarHBondContact O-CB 3.26Å; Y1480-R1484 PolarHBondContact O-N 3.37Å; Y1480-E1509 HydrophobicContact CD2-CB 4.06Å; Y1480-E1509 HydrophobicContact CD2-CG 4.37Å; Y1480-E1509 HydrophobicContact CE2-CG 4.4Å; Y1480-E1509 HydrophobicContact CG-CB 4.1Å |
| 1481 | Q | 84.2 | Confident | 81.2 | Confident | 125 Ų | 125 | 61.9 Ų | 61.9 | 58% | 0.584 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -73.9 | -47.8 | -178.6 | -66.5 | -174.3 | -4.7 | 0 | 0 | 110.6 | D1479 L1483 R1484 Q1485 | D1479-Q1481 VanDerWaalsContact C-N 3.26Å; D1479-Q1481 PolarHBondContact O-N 2.97Å; D1479-Q1481 PolarHBondContact OD1-N 3.45Å; Q1481-L1483 VanDerWaalsContact C-N 3.32Å; Q1481-R1484 PolarHBondContact O-N 2.83Å; Q1481-Q1485 PolarHBondContact O-N 3.47Å |
| 1482 | A | 81.7 | Confident | 80.9 | Confident | 18 Ų | 18 | 65.4 Ų | 65.4 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1474 D1479 R1484 Q1485 S1486 | L1474-A1482 HydrophobicContact CD1-CB 4.07Å; L1474-A1482 HydrophobicContact CD2-CB 3.75Å; D1479-A1482 HydrophobicContact CB-CB 4.33Å; D1479-A1482 VanDerWaalsContact CG-CB 3.41Å; D1479-A1482 WeakPolarHBondContact OD1-CB 3.5Å; D1479-A1482 PolarHBondContact OD1-N 2.68Å; D1479-A1482 WeakPolarHBondContact OD2-CB 3.18Å; A1482-R1484 VanDerWaalsContact C-N 3.35Å; A1482-Q1485 PolarHBondContact O-N 3.08Å; A1482-S1486 VanDerWaalsContact O-CB 3.3Å; A1482-S1486 WeakPolarHBondContact O-CB 3.43Å; A1482-S1486 PolarHBondContact O-N 3.27Å |
| 1483 | L | 83 | Confident | 80.7 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 175.6 | -175.3 | 65.3 | 0 | 0 | 0 | 111.2 | N1471 L1474 I1475 D1479 Q1481 S1486 I1487 L1502 F1510 L1513 | N1471-L1483 HydrophobicContact CB-CD1 3.55Å; N1471-L1483 WeakPolarHBondContact OD1-CD1 3.04Å; L1474-L1483 HydrophobicContact CB-CB 4.2Å; L1474-L1483 HydrophobicContact CB-CD1 4.31Å; L1474-L1483 HydrophobicContact CD1-CB 4.43Å; L1474-L1483 HydrophobicContact CD1-CD1 4.47Å; I1475-L1483 HydrophobicContact CD1-CD2 4.44Å; I1475-L1483 HydrophobicContact CG1-CD2 3.79Å; D1479-L1483 WeakPolarHBondContact O-CB 3.35Å; D1479-L1483 PolarHBondContact O-N 3.15Å; Q1481-L1483 VanDerWaalsContact C-N 3.32Å; L1483-S1486 WeakPolarHBondContact O-CB 3.39Å; L1483-S1486 PolarHBondContact O-N 2.92Å; L1483-I1487 HydrophobicContact CD1-CD1 4.07Å; L1483-I1487 HydrophobicContact CD1-CG1 4.36Å; L1483-I1487 HydrophobicContact CD2-CD1 4.33Å; L1483-I1487 HydrophobicContact CG-CD1 3.77Å; L1483-I1487 HydrophobicContact CG-CG1 4.44Å; L1483-I1487 WeakPolarHBondContact O-CB 3.37Å; L1483-I1487 VanDerWaalsContact O-CG1 3.26Å; L1483-I1487 WeakPolarHBondContact O-CG1 3.21Å; L1483-I1487 PolarHBondContact O-N 3.41Å; L1483-L1502 HydrophobicContact CD2-CD1 4.17Å; L1483-L1502 HydrophobicContact CD2-CD2 4.28Å; L1483-F1510 HydrophobicContact CB-CE1 4.43Å; L1483-F1510 HydrophobicContact CD2-CD1 3.75Å; L1483-F1510 HydrophobicContact CD2-CE1 3.47Å; L1483-F1510 VanDerWaalsContact CD2-CE1 3.47Å; L1483-L1513 HydrophobicContact CB-CD2 4.11Å; L1483-L1513 HydrophobicContact CD2-CD2 3.44Å; L1483-L1513 VanDerWaalsContact CD2-CD2 3.44Å; L1483-L1513 HydrophobicContact CG-CD2 3.56Å |
| 1484 | R | 79.4 | Confident | 80.6 | Confident | 112 Ų | 112 | 65.8 Ų | 65.8 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 175.5 | -177.4 | 172.3 | -178.3 | 175.8 | 3.1 | 112 | Y1480 Q1481 A1482 S1486 I1487 E1488 L1513 | Y1480-R1484 VanDerWaalsContact O-CB 3.3Å; Y1480-R1484 WeakPolarHBondContact O-CB 3.26Å; Y1480-R1484 PolarHBondContact O-N 3.37Å; Q1481-R1484 PolarHBondContact O-N 2.83Å; A1482-R1484 VanDerWaalsContact C-N 3.35Å; R1484-S1486 VanDerWaalsContact C-N 3.35Å; R1484-S1486 PolarHBondContact O-N 2.89Å; R1484-I1487 PolarHBondContact O-N 3.35Å; R1484-E1488 HydrophobicContact CG-CG 4.37Å; R1484-E1488 IonicContact CZ-OE1 3.56Å; R1484-E1488 IonicContact NE-OE1 3.57Å; R1484-E1488 PolarHBondContact NE-OE1 3.35Å; R1484-E1488 IonicContact NH2-OE1 3.52Å; R1484-E1488 PolarHBondContact NH2-OE1 2.88Å; R1484-E1488 WeakPolarHBondContact O-CB 3.04Å; R1484-E1488 WeakPolarHBondContact O-CG 3.42Å; R1484-E1488 PolarHBondContact O-N 3.34Å; R1484-L1513 HydrophobicContact CB-CD1 3.69Å; R1484-L1513 HydrophobicContact CG-CD1 3.82Å |
| 1485 | Q | 80.7 | Confident | 80.4 | Confident | 133 Ų | 133 | 68.1 Ų | 68.1 | 62% | 0.621 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60 | -47.3 | 176.8 | -170.8 | 176.4 | 12.6 | 0 | 0 | 110.7 | Q1481 A1482 I1487 E1488 T1489 | Q1481-Q1485 PolarHBondContact O-N 3.47Å; A1482-Q1485 PolarHBondContact O-N 3.08Å; Q1485-I1487 PolarHBondContact O-N 2.85Å; Q1485-E1488 PolarHBondContact O-N 2.86Å; Q1485-T1489 PolarHBondContact O-N 3.3Å; Q1485-T1489 PolarHBondContact O-OG1 3.39Å |
| 1486 | S | 80.3 | Confident | 80.1 | Confident | 5 Ų | 5 | 69.6 Ų | 69.6 | 4% | 0.035 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -54.9 | -48 | 177 | -178.4 | 0 | 0 | 0 | 0 | 112.2 | Q1457 N1471 A1482 L1483 R1484 H1490 | Q1457-S1486 PolarHBondContact NE2-OG 3.27Å; N1471-S1486 WeakPolarHBondContact OD1-CB 3.47Å; N1471-S1486 PolarHBondContact OD1-OG 3.4Å; A1482-S1486 VanDerWaalsContact O-CB 3.3Å; A1482-S1486 WeakPolarHBondContact O-CB 3.43Å; A1482-S1486 PolarHBondContact O-N 3.27Å; L1483-S1486 WeakPolarHBondContact O-CB 3.39Å; L1483-S1486 PolarHBondContact O-N 2.92Å; R1484-S1486 VanDerWaalsContact C-N 3.35Å; R1484-S1486 PolarHBondContact O-N 2.89Å; S1486-H1490 WeakPolarHBondContact O-CB 3.1Å; S1486-H1490 PolarHBondContact O-N 3.32Å; S1486-H1490 PolarHBondContact O-ND1 3.35Å |
| 1487 | I | 79.7 | Confident | 80 | Confident | 11 Ų | 11 | 64.3 Ų | 64.3 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.4 | -41.9 | -179.9 | -73.7 | 169.2 | 0 | 0 | 0 | 112.4 | L1483 R1484 Q1485 F1493 L1498 L1513 L1516 L1517 | L1483-I1487 HydrophobicContact CD1-CD1 4.07Å; L1483-I1487 HydrophobicContact CD1-CG1 4.36Å; L1483-I1487 HydrophobicContact CD2-CD1 4.33Å; L1483-I1487 HydrophobicContact CG-CD1 3.77Å; L1483-I1487 HydrophobicContact CG-CG1 4.44Å; L1483-I1487 WeakPolarHBondContact O-CB 3.37Å; L1483-I1487 VanDerWaalsContact O-CG1 3.26Å; L1483-I1487 WeakPolarHBondContact O-CG1 3.21Å; L1483-I1487 PolarHBondContact O-N 3.41Å; R1484-I1487 PolarHBondContact O-N 3.35Å; Q1485-I1487 PolarHBondContact O-N 2.85Å; I1487-F1493 HydrophobicContact CB-CE1 4.43Å; I1487-F1493 HydrophobicContact CB-CZ 4.07Å; I1487-F1493 HydrophobicContact CG1-CE1 4.19Å; I1487-F1493 HydrophobicContact CG1-CE2 4.36Å; I1487-F1493 HydrophobicContact CG1-CZ 3.68Å; I1487-F1493 HydrophobicContact CG2-CZ 3.93Å; I1487-L1498 HydrophobicContact CD1-CD2 3.8Å; I1487-L1498 HydrophobicContact CG1-CD2 4.13Å; I1487-L1513 HydrophobicContact CD1-CD2 3.45Å; I1487-L1513 VanDerWaalsContact CD1-CD2 3.45Å; I1487-L1513 HydrophobicContact CD1-CG 3.87Å; I1487-L1516 HydrophobicContact CG2-CD2 4.32Å; I1487-L1517 HydrophobicContact CD1-CD1 4.16Å; I1487-L1517 HydrophobicContact CD1-CD2 4.17Å; I1487-L1517 HydrophobicContact CD1-CG 4.37Å; I1487-L1517 HydrophobicContact CG1-CD2 4.39Å; I1487-L1517 HydrophobicContact CG2-CD2 3.6Å; I1487-L1517 HydrophobicContact CG2-CG 4.45Å |
| 1488 | E | 79 | Confident | 80.1 | Confident | 109 Ų | 109 | 60.2 Ų | 60.2 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -72.7 | -34.6 | -177.8 | -74.1 | 177.6 | 179.4 | 0 | 0 | 111.9 | R1484 Q1485 | R1484-E1488 HydrophobicContact CG-CG 4.37Å; R1484-E1488 IonicContact CZ-OE1 3.56Å; R1484-E1488 IonicContact NE-OE1 3.57Å; R1484-E1488 PolarHBondContact NE-OE1 3.35Å; R1484-E1488 IonicContact NH2-OE1 3.52Å; R1484-E1488 PolarHBondContact NH2-OE1 2.88Å; R1484-E1488 WeakPolarHBondContact O-CB 3.04Å; R1484-E1488 WeakPolarHBondContact O-CG 3.42Å; R1484-E1488 PolarHBondContact O-N 3.34Å; Q1485-E1488 PolarHBondContact O-N 2.86Å |
| 1489 | T | 77.5 | Confident | 79.9 | Confident | 83 Ų | 83 | 54.4 Ų | 54.4 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -88 | -32.8 | -179.3 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | Q1485 | Q1485-T1489 PolarHBondContact O-N 3.3Å; Q1485-T1489 PolarHBondContact O-OG1 3.39Å |
| 1490 | H | 75.6 | Confident | 79.7 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 10% | 0.102 | 29% | 0.289 | C | S | . | . | trans | -125.2 | 91.2 | -171.6 | -47 | 101.7 | 0 | 0 | 0 | 111.6 | Q1457 N1462 N1467 S1486 N1492 F1493 | Q1457-H1490 VanDerWaalsContact CD-CE1 3.45Å; Q1457-H1490 HydrophobicContact CG-CB 4.42Å; Q1457-H1490 WeakPolarHBondContact CG-CE1 3.45Å; Q1457-H1490 VanDerWaalsContact CG-ND1 3.3Å; Q1457-H1490 WeakPolarHBondContact CG-ND1 3.47Å; Q1457-H1490 PolarHBondContact NE2-ND1 3.38Å; Q1457-H1490 VanDerWaalsContact NE2-ND1 3.15Å; Q1457-H1490 PolarHBondContact O-NE2 2.87Å; N1462-H1490 WeakPolarHBondContact OD1-CA 3.33Å; N1467-H1490 WeakPolarHBondContact OD1-CB 3.19Å; S1486-H1490 WeakPolarHBondContact O-CB 3.1Å; S1486-H1490 PolarHBondContact O-N 3.32Å; S1486-H1490 PolarHBondContact O-ND1 3.35Å; H1490-N1492 PolarHBondContact O-N 3.44Å; H1490-F1493 WeakPolarHBondContact O-CD1 3.49Å; H1490-F1493 WeakPolarHBondContact O-CE1 3.42Å | ||
| 1491 | S | 72.4 | Confident | 79.6 | Confident | 68 Ų | 68 | 57.4 Ų | 57.4 | 48% | 0.476 | 29% | 0.294 | S | S | . | . | trans | -78.1 | -7 | -170.3 | 68.9 | 0 | 0 | 0 | 0 | 116.8 | N1462 F1493 H1495 | N1462-S1491 PolarHBondContact ND2-N 2.8Å; N1462-S1491 PolarHBondContact ND2-OG 3.1Å; N1462-S1491 VanDerWaalsContact ND2-OG 3.11Å; N1462-S1491 PolarHBondContact OD1-N 2.92Å; N1462-S1491 VanDerWaalsContact OD1-N 3.11Å; S1491-F1493 PolarHBondContact O-N 3.25Å; S1491-H1495 PolarHBondContact O-CE1 3.05Å; S1491-H1495 PolarHBondContact O-NE2 2.91Å | ||
| 1492 | N | 77.9 | Confident | 79.4 | Confident | 75 Ų | 75 | 51.5 Ų | 51.5 | 40% | 0.401 | 27% | 0.266 | S | S | . | . | trans | -89.2 | 87.8 | -175.4 | -169.4 | 19.1 | 0 | 0 | 0 | 108.9 | N1462 K1464 N1467 H1490 | N1462-N1492 HydrophobicContact CB-CB 3.73Å; N1462-N1492 VanDerWaalsContact CG-N 3.26Å; N1462-N1492 WeakPolarHBondContact ND2-CB 3.49Å; N1462-N1492 PolarHBondContact ND2-N 2.93Å; N1462-N1492 VanDerWaalsContact ND2-N 3.18Å; N1462-N1492 VanDerWaalsContact O-CB 3.31Å; N1462-N1492 WeakPolarHBondContact O-CB 3.09Å; N1462-N1492 PolarHBondContact O-ND2 3.49Å; N1462-N1492 VanDerWaalsContact OD1-CB 3.24Å; N1462-N1492 WeakPolarHBondContact OD1-CB 2.95Å; N1462-N1492 PolarHBondContact OD1-N 3.41Å; K1464-N1492 WeakPolarHBondContact CA-O 3.31Å; N1467-N1492 PolarHBondContact ND2-O 3.37Å; H1490-N1492 PolarHBondContact O-N 3.44Å | ||
| 1493 | F | 79.7 | Confident | 79.2 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -159.2 | 167.3 | 168.3 | 57.2 | -89.8 | 0 | 0 | 0 | 108 | N1467 E1468 I1487 H1490 S1491 H1495 L1498 L1517 | N1467-F1493 HydrophobicContact CB-CB 4.18Å; N1467-F1493 HydrophobicContact CB-CD1 4.35Å; E1468-F1493 HydrophobicContact CG-CB 3.69Å; I1487-F1493 HydrophobicContact CB-CE1 4.43Å; I1487-F1493 HydrophobicContact CB-CZ 4.07Å; I1487-F1493 HydrophobicContact CG1-CE1 4.19Å; I1487-F1493 HydrophobicContact CG1-CE2 4.36Å; I1487-F1493 HydrophobicContact CG1-CZ 3.68Å; I1487-F1493 HydrophobicContact CG2-CZ 3.93Å; H1490-F1493 WeakPolarHBondContact O-CD1 3.49Å; H1490-F1493 WeakPolarHBondContact O-CE1 3.42Å; S1491-F1493 PolarHBondContact O-N 3.25Å; F1493-H1495 AromaticContact CE1-CE1 3.89Å; F1493-H1495 AromaticContact CE1-ND1 3.99Å; F1493-H1495 HydrophobicContact CE2-CB 4.48Å; F1493-H1495 AromaticContact CE2-CE1 4Å; F1493-H1495 AromaticContact CE2-ND1 3.29Å; F1493-H1495 VanDerWaalsContact CE2-ND1 3.29Å; F1493-H1495 WeakPolarHBondContact CE2-ND1 3.13Å; F1493-H1495 AromaticContact CZ-CE1 3.61Å; F1493-H1495 AromaticContact CZ-ND1 3.27Å; F1493-H1495 VanDerWaalsContact CZ-ND1 3.27Å; F1493-H1495 WeakPolarHBondContact CZ-ND1 3.35Å; F1493-H1495 PolarHBondContact O-N 3.12Å; F1493-L1498 HydrophobicContact CD2-CB 4.39Å; F1493-L1498 HydrophobicContact CD2-CD2 3.84Å; F1493-L1498 HydrophobicContact CE2-CB 4.36Å; F1493-L1498 HydrophobicContact CE2-CD2 3.47Å; F1493-L1498 VanDerWaalsContact CE2-CD2 3.47Å; F1493-L1498 HydrophobicContact CZ-CD2 4.25Å; F1493-L1517 HydrophobicContact CE2-CD2 3.6Å; F1493-L1517 HydrophobicContact CZ-CD2 3.63Å |
| 1494 | D | 82 | Confident | 78.9 | Confident | 66 Ų | 66 | 63.9 Ų | 63.9 | 35% | 0.353 | 31% | 0.311 | S | S | . | . | trans | -71.5 | 90.9 | 175.2 | -165.7 | -28.6 | 0 | 0 | 0 | 111.4 | E1468 I1496 A1497 L1498 | E1468-D1494 PolarHBondContact OE1-N 2.99Å; D1494-I1496 PolarHBondContact O-N 3.07Å; D1494-I1496 PolarHBondContact OD1-N 3.17Å; D1494-I1496 VanDerWaalsContact OD1-N 3.08Å; D1494-A1497 HydrophobicContact CB-CB 3.84Å; D1494-A1497 VanDerWaalsContact CG-CB 3.47Å; D1494-A1497 PolarHBondContact O-N 2.87Å; D1494-A1497 PolarHBondContact OD1-N 2.95Å; D1494-L1498 WeakPolarHBondContact O-CB 3.38Å; D1494-L1498 PolarHBondContact O-N 3.47Å | ||
| 1495 | H | 79.7 | Confident | 78.9 | Confident | 53 Ų | 53 | 60.5 Ų | 60.5 | 25% | 0.245 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.5 | -35.5 | 178.5 | -62.4 | -66.4 | 0 | 0 | 0 | 112.9 | S1491 F1493 A1499 L1517 | S1491-H1495 PolarHBondContact O-CE1 3.05Å; S1491-H1495 PolarHBondContact O-NE2 2.91Å; F1493-H1495 AromaticContact CE1-CE1 3.89Å; F1493-H1495 AromaticContact CE1-ND1 3.99Å; F1493-H1495 HydrophobicContact CE2-CB 4.48Å; F1493-H1495 AromaticContact CE2-CE1 4Å; F1493-H1495 AromaticContact CE2-ND1 3.29Å; F1493-H1495 VanDerWaalsContact CE2-ND1 3.29Å; F1493-H1495 WeakPolarHBondContact CE2-ND1 3.13Å; F1493-H1495 AromaticContact CZ-CE1 3.61Å; F1493-H1495 AromaticContact CZ-ND1 3.27Å; F1493-H1495 VanDerWaalsContact CZ-ND1 3.27Å; F1493-H1495 WeakPolarHBondContact CZ-ND1 3.35Å; F1493-H1495 PolarHBondContact O-N 3.12Å; H1495-A1499 WeakPolarHBondContact O-CB 3.36Å; H1495-A1499 PolarHBondContact O-N 2.92Å; H1495-L1517 HydrophobicContact CB-CD2 4.48Å |
| 1496 | I | 78.2 | Confident | 78.5 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -78 | -44.9 | -175.1 | -65.2 | 158.5 | 0 | 0 | 0 | 109.7 | D1494 A1499 Q1500 | D1494-I1496 PolarHBondContact O-N 3.07Å; D1494-I1496 PolarHBondContact OD1-N 3.17Å; D1494-I1496 VanDerWaalsContact OD1-N 3.08Å; I1496-A1499 PolarHBondContact O-N 3.21Å; I1496-Q1500 HydrophobicContact CG2-CG 4.43Å; I1496-Q1500 WeakPolarHBondContact O-CB 3.08Å; I1496-Q1500 VanDerWaalsContact O-CG 3.28Å; I1496-Q1500 WeakPolarHBondContact O-CG 3.19Å; I1496-Q1500 PolarHBondContact O-N 3.48Å |
| 1497 | A | 80.2 | Confident | 78.3 | Confident | 45 Ų | 45 | 66 Ų | 66 | 37% | 0.372 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61 | -46 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | D1494 A1499 Q1500 Q1501 | D1494-A1497 HydrophobicContact CB-CB 3.84Å; D1494-A1497 VanDerWaalsContact CG-CB 3.47Å; D1494-A1497 PolarHBondContact O-N 2.87Å; D1494-A1497 PolarHBondContact OD1-N 2.95Å; A1497-A1499 PolarHBondContact O-N 3.44Å; A1497-Q1500 PolarHBondContact O-N 2.7Å; A1497-Q1501 WeakPolarHBondContact O-CB 3.29Å; A1497-Q1501 PolarHBondContact O-N 3.48Å |
| 1498 | L | 81.9 | Confident | 78.2 | Confident | 11 Ų | 11 | 70 Ų | 70 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 176.8 | -173 | 63.5 | 0 | 0 | 0 | 111.5 | N1471 I1475 I1487 F1493 D1494 Q1500 Q1501 L1502 L1517 | N1471-L1498 HydrophobicContact CB-CD2 4.47Å; I1475-L1498 HydrophobicContact CD1-CD1 3.51Å; I1487-L1498 HydrophobicContact CD1-CD2 3.8Å; I1487-L1498 HydrophobicContact CG1-CD2 4.13Å; F1493-L1498 HydrophobicContact CD2-CB 4.39Å; F1493-L1498 HydrophobicContact CD2-CD2 3.84Å; F1493-L1498 HydrophobicContact CE2-CB 4.36Å; F1493-L1498 HydrophobicContact CE2-CD2 3.47Å; F1493-L1498 VanDerWaalsContact CE2-CD2 3.47Å; F1493-L1498 HydrophobicContact CZ-CD2 4.25Å; D1494-L1498 WeakPolarHBondContact O-CB 3.38Å; D1494-L1498 PolarHBondContact O-N 3.47Å; L1498-Q1500 VanDerWaalsContact C-N 3.35Å; L1498-Q1500 PolarHBondContact O-N 3.07Å; L1498-Q1501 PolarHBondContact O-N 3.29Å; L1498-L1502 HydrophobicContact CD1-CD1 4.16Å; L1498-L1502 HydrophobicContact CD1-CG 4.23Å; L1498-L1502 HydrophobicContact CD2-CD1 4.49Å; L1498-L1502 HydrophobicContact CG-CD1 3.87Å; L1498-L1502 HydrophobicContact CG-CG 4.33Å; L1498-L1502 WeakPolarHBondContact O-CB 3.27Å; L1498-L1502 VanDerWaalsContact O-CG 3.23Å; L1498-L1502 WeakPolarHBondContact O-CG 3.3Å; L1498-L1502 PolarHBondContact O-N 3.49Å; L1498-L1517 HydrophobicContact CB-CD1 3.99Å; L1498-L1517 HydrophobicContact CD2-CD1 3.72Å; L1498-L1517 HydrophobicContact CG-CD1 3.68Å |
| 1499 | A | 77.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H1495 I1496 A1497 Q1501 L1502 E1503 A1514 L1517 F1518 | H1495-A1499 WeakPolarHBondContact O-CB 3.36Å; H1495-A1499 PolarHBondContact O-N 2.92Å; I1496-A1499 PolarHBondContact O-N 3.21Å; A1497-A1499 PolarHBondContact O-N 3.44Å; A1499-Q1501 VanDerWaalsContact C-N 3.33Å; A1499-Q1501 PolarHBondContact O-N 2.82Å; A1499-L1502 PolarHBondContact O-N 3.22Å; A1499-E1503 WeakPolarHBondContact O-CB 3.38Å; A1499-E1503 PolarHBondContact O-N 3.2Å; A1499-A1514 HydrophobicContact CB-CB 4.45Å; A1499-A1514 WeakPolarHBondContact O-CB 3.39Å; A1499-L1517 HydrophobicContact CB-CB 3.78Å; A1499-L1517 HydrophobicContact CB-CD1 4.24Å; A1499-F1518 HydrophobicContact CB-CD1 4.06Å; A1499-F1518 HydrophobicContact CB-CD2 3.93Å; A1499-F1518 HydrophobicContact CB-CE1 3.83Å; A1499-F1518 HydrophobicContact CB-CE2 3.71Å; A1499-F1518 HydrophobicContact CB-CG 4.1Å; A1499-F1518 HydrophobicContact CB-CZ 3.65Å |
| 1500 | Q | 81.3 | Confident | 78.3 | Confident | 108 Ų | 108 | 64.6 Ų | 64.6 | 51% | 0.505 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.8 | -35.3 | 177.3 | -74.6 | 177.4 | -10.8 | 0 | 0 | 112.7 | I1496 A1497 L1498 F1518 | I1496-Q1500 HydrophobicContact CG2-CG 4.43Å; I1496-Q1500 WeakPolarHBondContact O-CB 3.08Å; I1496-Q1500 VanDerWaalsContact O-CG 3.28Å; I1496-Q1500 WeakPolarHBondContact O-CG 3.19Å; I1496-Q1500 PolarHBondContact O-N 3.48Å; A1497-Q1500 PolarHBondContact O-N 2.7Å; L1498-Q1500 VanDerWaalsContact C-N 3.35Å; L1498-Q1500 PolarHBondContact O-N 3.07Å; Q1500-F1518 HydrophobicContact CG-CZ 4.3Å |
| 1501 | Q | 80.1 | Confident | 78.5 | Confident | 101 Ų | 101 | 66.3 Ų | 66.3 | 47% | 0.472 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.8 | -43.9 | 175.3 | -174.2 | 176.9 | -2.5 | 0 | 0 | 111.2 | A1497 L1498 A1499 | A1497-Q1501 WeakPolarHBondContact O-CB 3.29Å; A1497-Q1501 PolarHBondContact O-N 3.48Å; L1498-Q1501 PolarHBondContact O-N 3.29Å; A1499-Q1501 VanDerWaalsContact C-N 3.33Å; A1499-Q1501 PolarHBondContact O-N 2.82Å |
| 1502 | L | 80.5 | Confident | 78.7 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -75.8 | -26 | -178.6 | -68.1 | 179 | 0 | 0 | 0 | 113.5 | I1475 L1483 L1498 A1499 R1504 H1505 F1510 R1511 L1513 A1514 L1517 | I1475-L1502 HydrophobicContact CD1-CD2 3.94Å; I1475-L1502 HydrophobicContact CG1-CD2 3.98Å; L1483-L1502 HydrophobicContact CD2-CD1 4.17Å; L1483-L1502 HydrophobicContact CD2-CD2 4.28Å; L1498-L1502 HydrophobicContact CD1-CD1 4.16Å; L1498-L1502 HydrophobicContact CD1-CG 4.23Å; L1498-L1502 HydrophobicContact CD2-CD1 4.49Å; L1498-L1502 HydrophobicContact CG-CD1 3.87Å; L1498-L1502 HydrophobicContact CG-CG 4.33Å; L1498-L1502 WeakPolarHBondContact O-CB 3.27Å; L1498-L1502 VanDerWaalsContact O-CG 3.23Å; L1498-L1502 WeakPolarHBondContact O-CG 3.3Å; L1498-L1502 PolarHBondContact O-N 3.49Å; A1499-L1502 PolarHBondContact O-N 3.22Å; L1502-R1504 PolarHBondContact O-N 2.81Å; L1502-R1504 VanDerWaalsContact O-N 3.14Å; L1502-H1505 VanDerWaalsContact O-CB 3.3Å; L1502-H1505 WeakPolarHBondContact O-CB 3.33Å; L1502-H1505 PolarHBondContact O-N 3.33Å; L1502-F1510 HydrophobicContact CD2-CB 4.02Å; L1502-F1510 HydrophobicContact CD2-CD1 3.66Å; L1502-F1510 HydrophobicContact CD2-CG 4.1Å; L1502-R1511 WeakPolarHBondContact O-CG 3.09Å; L1502-L1513 HydrophobicContact CD1-CB 4.22Å; L1502-L1513 HydrophobicContact CD1-CD2 4.27Å; L1502-A1514 HydrophobicContact CB-CB 3.78Å; L1502-L1517 HydrophobicContact CD1-CD1 3.89Å |
| 1503 | E | 76.8 | Confident | 78.8 | Confident | 53 Ų | 53 | 63.8 Ų | 63.8 | 25% | 0.248 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -28.3 | 179.3 | 167 | 171.4 | -171.6 | 0 | 0 | 113.1 | A1499 R1511 A1514 L1530 R1533 | A1499-E1503 WeakPolarHBondContact O-CB 3.38Å; A1499-E1503 PolarHBondContact O-N 3.2Å; E1503-R1511 WeakPolarHBondContact O-CD 3.29Å; E1503-R1511 WeakPolarHBondContact O-CG 3.38Å; E1503-A1514 HydrophobicContact CB-CB 4.38Å; E1503-L1530 HydrophobicContact CB-CD1 4.32Å; E1503-L1530 HydrophobicContact CG-CD1 3.6Å; E1503-R1533 PolarHBondContact O-NH2 2.81Å; E1503-R1533 IonicContact OE1-CZ 3.21Å; E1503-R1533 IonicContact OE1-NH1 3.03Å; E1503-R1533 PolarHBondContact OE1-NH1 3.45Å; E1503-R1533 IonicContact OE1-NH2 2.76Å; E1503-R1533 PolarHBondContact OE1-NH2 3.32Å |
| 1504 | R | 77.3 | Confident | 78.7 | Confident | 225 Ų | 225 | 63.3 Ų | 63.3 | 85% | 0.849 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 3.3 | -179.1 | -60.8 | -177.9 | -176 | 176 | 2.1 | 113.5 | L1502 | L1502-R1504 PolarHBondContact O-N 2.81Å; L1502-R1504 VanDerWaalsContact O-N 3.14Å |
| 1505 | H | 77.8 | Confident | 78.5 | Confident | 42 Ų | 42 | 60.2 Ų | 60.2 | 19% | 0.194 | 28% | 0.279 | C | S | . | . | trans | -68.8 | 142.7 | -177.5 | -158.4 | -76.9 | 0 | 0 | 0 | 111.1 | L1502 L1507 F1510 R1511 | L1502-H1505 VanDerWaalsContact O-CB 3.3Å; L1502-H1505 WeakPolarHBondContact O-CB 3.33Å; L1502-H1505 PolarHBondContact O-N 3.33Å; H1505-L1507 PolarHBondContact ND1-N 2.7Å; H1505-L1507 PolarHBondContact O-N 2.97Å; H1505-F1510 HydrophobicContact CB-CB 3.81Å; H1505-F1510 AromaticContact CE1-CD2 3.42Å; H1505-F1510 VanDerWaalsContact CE1-CD2 3.42Å; H1505-F1510 WeakPolarHBondContact CE1-CD2 3.23Å; H1505-F1510 AromaticContact CE1-CE2 3.85Å; H1505-F1510 AromaticContact CG-CD2 3.92Å; H1505-F1510 AromaticContact ND1-CD2 3.42Å; H1505-F1510 WeakPolarHBondContact ND1-CD2 3.03Å; H1505-F1510 AromaticContact ND1-CG 3.99Å; H1505-F1510 AromaticContact NE2-CD2 3.9Å; H1505-R1511 PolarHBondContact O-NE 3.33Å | ||
| 1506 | E | 73.7 | Confident | 78.3 | Confident | 181 Ų | 181 | 59.7 Ų | 59.7 | 85% | 0.846 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -64 | -44.4 | -175.5 | -62.1 | -167.9 | 164.2 | 0 | 0 | 111.6 | R1511 | E1506-R1511 PolarHBondContact O-NH2 2.92Š|
| 1507 | L | 76.3 | Confident | 78.4 | Confident | 72 Ų | 72 | 57.6 Ų | 57.6 | 38% | 0.377 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -67.9 | 128.6 | 176.2 | -62.2 | 170.4 | 0 | 0 | 0 | 112.5 | E1478 H1505 E1509 F1510 R1511 | E1478-L1507 HydrophobicContact CB-CD1 4.31Å; E1478-L1507 HydrophobicContact CG-CD1 4.45Å; H1505-L1507 PolarHBondContact ND1-N 2.7Å; H1505-L1507 PolarHBondContact O-N 2.97Å; L1507-E1509 VanDerWaalsContact C-N 3.31Å; L1507-E1509 PolarHBondContact O-N 3.12Å; L1507-F1510 HydrophobicContact CB-CD2 3.9Å; L1507-F1510 HydrophobicContact CD1-CD2 3.78Å; L1507-F1510 HydrophobicContact CD1-CE2 3.7Å; L1507-F1510 HydrophobicContact CG-CD2 4.42Å; L1507-F1510 PolarHBondContact O-N 2.88Å; L1507-R1511 PolarHBondContact O-N 3.41Å |
| 1508 | I | 77 | Confident | 78.4 | Confident | 94 Ų | 94 | 55.6 Ų | 55.6 | 48% | 0.482 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.2 | -36 | -179.4 | -64.2 | 166.8 | 0 | 0 | 0 | 111.9 | F1510 R1511 R1512 | I1508-F1510 VanDerWaalsContact C-N 3.33Å; I1508-F1510 PolarHBondContact O-N 3.25Å; I1508-R1511 CarbonylContact O-C 3.59Å; I1508-R1511 WeakPolarHBondContact O-CB 3.44Å; I1508-R1511 PolarHBondContact O-N 3.12Å; I1508-R1511 VanDerWaalsContact O-N 3.14Å; I1508-R1512 PolarHBondContact O-N 3.48Å |
| 1509 | E | 77.5 | Confident | 78 | Confident | 80 Ų | 80 | 57.5 Ų | 57.5 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.3 | -35.7 | -179.4 | -66.5 | -61.7 | 161.6 | 0 | 0 | 112.5 | Y1480 L1507 R1512 L1513 | Y1480-E1509 HydrophobicContact CD2-CB 4.06Å; Y1480-E1509 HydrophobicContact CD2-CG 4.37Å; Y1480-E1509 HydrophobicContact CE2-CG 4.4Å; Y1480-E1509 HydrophobicContact CG-CB 4.1Å; L1507-E1509 VanDerWaalsContact C-N 3.31Å; L1507-E1509 PolarHBondContact O-N 3.12Å; E1509-R1512 WeakPolarHBondContact O-CB 3.35Å; E1509-R1512 PolarHBondContact O-N 3.33Å; E1509-L1513 PolarHBondContact O-N 3.15Å |
| 1510 | F | 80.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.7 | -38.6 | 173 | -79.6 | -60.3 | 0 | 0 | 0 | 111.7 | I1475 E1478 L1483 L1502 H1505 L1507 I1508 R1512 L1513 A1514 | I1475-F1510 HydrophobicContact CG1-CE1 4.48Å; E1478-F1510 HydrophobicContact CB-CE2 4.3Å; L1483-F1510 HydrophobicContact CB-CE1 4.43Å; L1483-F1510 HydrophobicContact CD2-CD1 3.75Å; L1483-F1510 HydrophobicContact CD2-CE1 3.47Å; L1483-F1510 VanDerWaalsContact CD2-CE1 3.47Å; L1502-F1510 HydrophobicContact CD2-CB 4.02Å; L1502-F1510 HydrophobicContact CD2-CD1 3.66Å; L1502-F1510 HydrophobicContact CD2-CG 4.1Å; H1505-F1510 HydrophobicContact CB-CB 3.81Å; H1505-F1510 AromaticContact CE1-CD2 3.42Å; H1505-F1510 VanDerWaalsContact CE1-CD2 3.42Å; H1505-F1510 WeakPolarHBondContact CE1-CD2 3.23Å; H1505-F1510 AromaticContact CE1-CE2 3.85Å; H1505-F1510 AromaticContact CG-CD2 3.92Å; H1505-F1510 AromaticContact ND1-CD2 3.42Å; H1505-F1510 WeakPolarHBondContact ND1-CD2 3.03Å; H1505-F1510 AromaticContact ND1-CG 3.99Å; H1505-F1510 AromaticContact NE2-CD2 3.9Å; L1507-F1510 HydrophobicContact CB-CD2 3.9Å; L1507-F1510 HydrophobicContact CD1-CD2 3.78Å; L1507-F1510 HydrophobicContact CD1-CE2 3.7Å; L1507-F1510 HydrophobicContact CG-CD2 4.42Å; L1507-F1510 PolarHBondContact O-N 2.88Å; I1508-F1510 VanDerWaalsContact C-N 3.33Å; I1508-F1510 PolarHBondContact O-N 3.25Å; F1510-R1512 VanDerWaalsContact C-N 3.35Å; F1510-L1513 CarbonylContact O-C 3.54Å; F1510-L1513 WeakPolarHBondContact O-CA 3.17Å; F1510-L1513 VanDerWaalsContact O-CB 3.25Å; F1510-L1513 WeakPolarHBondContact O-CB 3.47Å; F1510-L1513 PolarHBondContact O-N 2.98Å; F1510-L1513 VanDerWaalsContact O-N 3.16Å; F1510-A1514 PolarHBondContact O-N 2.9Å |
| 1511 | R | 80.3 | Confident | 77.4 | Confident | 57 Ų | 57 | 56.5 Ų | 56.5 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.4 | -36.6 | 172.2 | -72.3 | -173.2 | -85.9 | 162.7 | -9.7 | 112.6 | L1502 E1503 H1505 E1506 L1507 I1508 L1513 A1514 A1515 L1530 D1534 | L1502-R1511 WeakPolarHBondContact O-CG 3.09Å; E1503-R1511 WeakPolarHBondContact O-CD 3.29Å; E1503-R1511 WeakPolarHBondContact O-CG 3.38Å; H1505-R1511 PolarHBondContact O-NE 3.33Å; E1506-R1511 PolarHBondContact O-NH2 2.92Å; L1507-R1511 PolarHBondContact O-N 3.41Å; I1508-R1511 CarbonylContact O-C 3.59Å; I1508-R1511 WeakPolarHBondContact O-CB 3.44Å; I1508-R1511 PolarHBondContact O-N 3.12Å; I1508-R1511 VanDerWaalsContact O-N 3.14Å; R1511-L1513 VanDerWaalsContact C-N 3.25Å; R1511-L1513 PolarHBondContact O-N 2.97Å; R1511-A1514 WeakPolarHBondContact O-CB 3.22Å; R1511-A1514 PolarHBondContact O-N 2.9Å; R1511-A1514 VanDerWaalsContact O-N 3.16Å; R1511-A1515 PolarHBondContact O-N 2.78Å; R1511-L1530 WeakPolarHBondContact O-CD2 3.42Å; R1511-D1534 WeakPolarHBondContact CB-OD2 3.17Å; R1511-D1534 IonicContact CZ-OD1 3.75Å; R1511-D1534 IonicContact NH1-OD1 2.7Å; R1511-D1534 PolarHBondContact NH1-OD1 2.81Å; R1511-D1534 IonicContact NH1-OD2 2.75Å |
| 1512 | R | 76 | Confident | 77.2 | Confident | 82 Ų | 82 | 57.4 Ų | 57.4 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.8 | -37.3 | 172 | -166.1 | 176.5 | -168.4 | -174.1 | 3.6 | 111.4 | I1508 E1509 F1510 A1515 L1516 L1536 D1539 | I1508-R1512 PolarHBondContact O-N 3.48Å; E1509-R1512 WeakPolarHBondContact O-CB 3.35Å; E1509-R1512 PolarHBondContact O-N 3.33Å; F1510-R1512 VanDerWaalsContact C-N 3.35Å; R1512-A1515 WeakPolarHBondContact O-CB 3.18Å; R1512-A1515 PolarHBondContact O-N 3.14Å; R1512-L1516 PolarHBondContact O-N 3.3Å; R1512-L1536 HydrophobicContact CB-CD1 4.28Å; R1512-L1536 HydrophobicContact CG-CD1 4.15Å; R1512-D1539 IonicContact CZ-OD1 2.71Å; R1512-D1539 IonicContact CZ-OD2 3.05Å; R1512-D1539 VanDerWaalsContact CZ-OD2 3.31Å; R1512-D1539 IonicContact NE-OD1 2.94Å; R1512-D1539 IonicContact NE-OD2 3.23Å; R1512-D1539 PolarHBondContact NE-OD2 2.81Å; R1512-D1539 IonicContact NH2-OD1 3.08Å; R1512-D1539 PolarHBondContact NH2-OD1 2.95Å; R1512-D1539 IonicContact NH2-OD2 3.52Å; R1512-D1539 PolarHBondContact NH2-OD2 2.91Å; R1512-D1539 VanDerWaalsContact NH2-OD2 3.13Å |
| 1513 | L | 79.1 | Confident | 77.1 | Confident | 9 Ų | 9 | 61.7 Ų | 61.7 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 172.9 | -139.8 | 70.9 | 0 | 0 | 0 | 112.2 | L1483 R1484 I1487 L1502 E1509 F1510 R1511 A1515 L1516 L1517 | L1483-L1513 HydrophobicContact CB-CD2 4.11Å; L1483-L1513 HydrophobicContact CD2-CD2 3.44Å; L1483-L1513 VanDerWaalsContact CD2-CD2 3.44Å; L1483-L1513 HydrophobicContact CG-CD2 3.56Å; R1484-L1513 HydrophobicContact CB-CD1 3.69Å; R1484-L1513 HydrophobicContact CG-CD1 3.82Å; I1487-L1513 HydrophobicContact CD1-CD2 3.45Å; I1487-L1513 VanDerWaalsContact CD1-CD2 3.45Å; I1487-L1513 HydrophobicContact CD1-CG 3.87Å; L1502-L1513 HydrophobicContact CD1-CB 4.22Å; L1502-L1513 HydrophobicContact CD1-CD2 4.27Å; E1509-L1513 PolarHBondContact O-N 3.15Å; F1510-L1513 CarbonylContact O-C 3.54Å; F1510-L1513 WeakPolarHBondContact O-CA 3.17Å; F1510-L1513 VanDerWaalsContact O-CB 3.25Å; F1510-L1513 WeakPolarHBondContact O-CB 3.47Å; F1510-L1513 PolarHBondContact O-N 2.98Å; F1510-L1513 VanDerWaalsContact O-N 3.16Å; R1511-L1513 VanDerWaalsContact C-N 3.25Å; R1511-L1513 PolarHBondContact O-N 2.97Å; L1513-A1515 VanDerWaalsContact C-N 3.29Å; L1513-A1515 PolarHBondContact O-N 2.97Å; L1513-L1516 WeakPolarHBondContact O-CB 3.41Å; L1513-L1516 PolarHBondContact O-N 3.46Å; L1513-L1517 WeakPolarHBondContact O-CG 3.41Å; L1513-L1517 PolarHBondContact O-N 2.92Å |
| 1514 | A | 79.2 | Confident | 77.2 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.6 | -42.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1499 L1502 E1503 F1510 R1511 L1516 L1517 F1518 L1530 | A1499-A1514 HydrophobicContact CB-CB 4.45Å; A1499-A1514 WeakPolarHBondContact O-CB 3.39Å; L1502-A1514 HydrophobicContact CB-CB 3.78Å; E1503-A1514 HydrophobicContact CB-CB 4.38Å; F1510-A1514 PolarHBondContact O-N 2.9Å; R1511-A1514 WeakPolarHBondContact O-CB 3.22Å; R1511-A1514 PolarHBondContact O-N 2.9Å; R1511-A1514 VanDerWaalsContact O-N 3.16Å; A1514-L1516 VanDerWaalsContact C-N 3.32Å; A1514-L1516 PolarHBondContact O-N 2.96Å; A1514-L1517 PolarHBondContact O-N 3.45Å; A1514-F1518 VanDerWaalsContact O-CD2 3.24Å; A1514-F1518 WeakPolarHBondContact O-CD2 3.33Å; A1514-F1518 PolarHBondContact O-N 3.23Å; A1514-L1530 HydrophobicContact CB-CD2 3.77Å |
| 1515 | A | 76.1 | Confident | 77.2 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1511 R1512 L1513 L1517 F1518 K1519 S1527 L1530 Y1543 | R1511-A1515 PolarHBondContact O-N 2.78Å; R1512-A1515 WeakPolarHBondContact O-CB 3.18Å; R1512-A1515 PolarHBondContact O-N 3.14Å; L1513-A1515 VanDerWaalsContact C-N 3.29Å; L1513-A1515 PolarHBondContact O-N 2.97Å; A1515-L1517 PolarHBondContact O-N 2.89Å; A1515-F1518 PolarHBondContact O-N 3.33Å; A1515-K1519 WeakPolarHBondContact O-CB 3.41Å; A1515-K1519 PolarHBondContact O-N 3.14Å; A1515-S1527 PolarHBondContact O-OG 3.12Å; A1515-L1530 HydrophobicContact CB-CD2 3.9Å; A1515-Y1543 HydrophobicContact CB-CE2 3.8Å |
| 1516 | L | 77.4 | Confident | 77.2 | Confident | 43 Ų | 43 | 58 Ų | 58 | 23% | 0.225 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 176.8 | -169.4 | 149.1 | 0 | 0 | 0 | 112.2 | I1487 R1512 L1513 A1514 K1519 G1520 | I1487-L1516 HydrophobicContact CG2-CD2 4.32Å; R1512-L1516 PolarHBondContact O-N 3.3Å; L1513-L1516 WeakPolarHBondContact O-CB 3.41Å; L1513-L1516 PolarHBondContact O-N 3.46Å; A1514-L1516 VanDerWaalsContact C-N 3.32Å; A1514-L1516 PolarHBondContact O-N 2.96Å; L1516-K1519 WeakPolarHBondContact O-CB 3.32Å; L1516-K1519 PolarHBondContact O-N 2.91Å; L1516-G1520 PolarHBondContact O-N 3.21Å |
| 1517 | L | 78.9 | Confident | 77.4 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.7 | -41.2 | 174.8 | -71.4 | 170.9 | 0 | 0 | 0 | 112.9 | I1487 F1493 H1495 L1498 A1499 L1502 L1513 A1514 A1515 K1519 G1520 S1521 | I1487-L1517 HydrophobicContact CD1-CD1 4.16Å; I1487-L1517 HydrophobicContact CD1-CD2 4.17Å; I1487-L1517 HydrophobicContact CD1-CG 4.37Å; I1487-L1517 HydrophobicContact CG1-CD2 4.39Å; I1487-L1517 HydrophobicContact CG2-CD2 3.6Å; I1487-L1517 HydrophobicContact CG2-CG 4.45Å; F1493-L1517 HydrophobicContact CE2-CD2 3.6Å; F1493-L1517 HydrophobicContact CZ-CD2 3.63Å; H1495-L1517 HydrophobicContact CB-CD2 4.48Å; L1498-L1517 HydrophobicContact CB-CD1 3.99Å; L1498-L1517 HydrophobicContact CD2-CD1 3.72Å; L1498-L1517 HydrophobicContact CG-CD1 3.68Å; A1499-L1517 HydrophobicContact CB-CB 3.78Å; A1499-L1517 HydrophobicContact CB-CD1 4.24Å; L1502-L1517 HydrophobicContact CD1-CD1 3.89Å; L1513-L1517 WeakPolarHBondContact O-CG 3.41Å; L1513-L1517 PolarHBondContact O-N 2.92Å; A1514-L1517 PolarHBondContact O-N 3.45Å; A1515-L1517 PolarHBondContact O-N 2.89Å; L1517-K1519 VanDerWaalsContact C-N 3.29Å; L1517-K1519 PolarHBondContact O-N 3.35Å; L1517-G1520 PolarHBondContact O-N 3.05Å; L1517-S1521 PolarHBondContact O-N 3.21Å; L1517-S1521 PolarHBondContact O-OG 3.22Å |
| 1518 | F | 80.1 | Confident | 77.4 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -37.7 | 173.5 | -78.3 | -54.6 | 0 | 0 | 0 | 112 | A1499 Q1500 A1514 A1515 S1521 R1523 Q1526 L1530 | A1499-F1518 HydrophobicContact CB-CD1 4.06Å; A1499-F1518 HydrophobicContact CB-CD2 3.93Å; A1499-F1518 HydrophobicContact CB-CE1 3.83Å; A1499-F1518 HydrophobicContact CB-CE2 3.71Å; A1499-F1518 HydrophobicContact CB-CG 4.1Å; A1499-F1518 HydrophobicContact CB-CZ 3.65Å; Q1500-F1518 HydrophobicContact CG-CZ 4.3Å; A1514-F1518 VanDerWaalsContact O-CD2 3.24Å; A1514-F1518 WeakPolarHBondContact O-CD2 3.33Å; A1514-F1518 PolarHBondContact O-N 3.23Å; A1515-F1518 PolarHBondContact O-N 3.33Å; F1518-S1521 WeakPolarHBondContact CA-OG 3.19Å; F1518-S1521 PolarHBondContact O-N 3.47Å; F1518-S1521 PolarHBondContact O-OG 2.81Å; F1518-S1521 VanDerWaalsContact O-OG 3.11Å; F1518-R1523 HydrophobicContact CB-CB 4.43Å; F1518-R1523 HydrophobicContact CD1-CB 4.16Å; F1518-R1523 WeakPolarHBondContact O-CA 3.38Å; F1518-R1523 PolarHBondContact O-N 2.84Å; F1518-Q1526 HydrophobicContact CD1-CB 4.33Å; F1518-Q1526 HydrophobicContact CG-CB 4.33Å; F1518-L1530 HydrophobicContact CD2-CD2 4.4Å |
| 1519 | K | 74.4 | Confident | 77.5 | Confident | 50 Ų | 50 | 45.2 Ų | 45.2 | 22% | 0.217 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.3 | -51.9 | 171.2 | -177.9 | -144.7 | -176.1 | 170.2 | 0 | 111.1 | A1515 L1516 L1517 S1521 N1522 W1524 Y1543 D1546 | A1515-K1519 WeakPolarHBondContact O-CB 3.41Å; A1515-K1519 PolarHBondContact O-N 3.14Å; L1516-K1519 WeakPolarHBondContact O-CB 3.32Å; L1516-K1519 PolarHBondContact O-N 2.91Å; L1517-K1519 VanDerWaalsContact C-N 3.29Å; L1517-K1519 PolarHBondContact O-N 3.35Å; K1519-S1521 PolarHBondContact O-N 2.9Å; K1519-N1522 PolarHBondContact O-N 3.46Å; K1519-N1522 VanDerWaalsContact O-N 3.08Å; K1519-W1524 HydrophobicContact CB-CZ3 4.38Å; K1519-W1524 HydrophobicContact CD-CZ3 4.33Å; K1519-W1524 HydrophobicContact CG-CE3 3.94Å; K1519-W1524 HydrophobicContact CG-CH2 3.96Å; K1519-W1524 HydrophobicContact CG-CZ3 3.31Å; K1519-Y1543 HydrophobicContact CB-CD1 4.31Å; K1519-Y1543 HydrophobicContact CB-CE1 4.4Å; K1519-Y1543 HydrophobicContact CB-CG 4.49Å; K1519-Y1543 HydrophobicContact CD-CD1 3.61Å; K1519-Y1543 HydrophobicContact CD-CE1 3.61Å; K1519-Y1543 HydrophobicContact CG-CD1 3.83Å; K1519-Y1543 HydrophobicContact CG-CE1 4.18Å; K1519-Y1543 HydrophobicContact CG-CG 4.28Å; K1519-D1546 WeakPolarHBondContact CE-OD2 3.28Å; K1519-D1546 IonicContact NZ-OD2 2.87Å; K1519-D1546 PolarHBondContact NZ-OD2 3.47Å |
| 1520 | G | 71.5 | Confident | 77.6 | Confident | 57 Ų | 57 | 41.7 Ų | 41.7 | 59% | 0.588 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -60.7 | -25.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1516 L1517 | L1516-G1520 PolarHBondContact O-N 3.21Å; L1517-G1520 PolarHBondContact O-N 3.05Å |
| 1521 | S | 74.9 | Confident | 77.4 | Confident | 31 Ų | 31 | 41.7 Ų | 41.7 | 22% | 0.217 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 15.2 | 177.1 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | L1517 F1518 K1519 R1523 | L1517-S1521 PolarHBondContact O-N 3.21Å; L1517-S1521 PolarHBondContact O-OG 3.22Å; F1518-S1521 WeakPolarHBondContact CA-OG 3.19Å; F1518-S1521 PolarHBondContact O-N 3.47Å; F1518-S1521 PolarHBondContact O-OG 2.81Å; F1518-S1521 VanDerWaalsContact O-OG 3.11Å; K1519-S1521 PolarHBondContact O-N 2.9Å; S1521-R1523 PolarHBondContact O-N 3.29Å |
| 1522 | N | 76 | Confident | 77.3 | Confident | 120 Ų | 120 | 40.5 Ų | 40.5 | 64% | 0.642 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 19.1 | -177.2 | -60.3 | -53.9 | 0 | 0 | 0 | 114.8 | K1519 W1524 | K1519-N1522 PolarHBondContact O-N 3.46Å; K1519-N1522 VanDerWaalsContact O-N 3.08Å; N1522-W1524 VanDerWaalsContact C-N 3.27Å; N1522-W1524 PolarHBondContact O-N 3.13Å |
| 1523 | R | 77.4 | Confident | 77.3 | Confident | 91 Ų | 91 | 43.1 Ų | 43.1 | 34% | 0.343 | 22% | 0.216 | S | C | . | . | trans | -92.2 | 60.2 | 174 | -63.1 | -162.2 | -177.5 | -178.4 | -0.8 | 110.7 | F1518 S1521 M1525 Q1526 S1527 | F1518-R1523 HydrophobicContact CB-CB 4.43Å; F1518-R1523 HydrophobicContact CD1-CB 4.16Å; F1518-R1523 WeakPolarHBondContact O-CA 3.38Å; F1518-R1523 PolarHBondContact O-N 2.84Å; S1521-R1523 PolarHBondContact O-N 3.29Å; R1523-M1525 VanDerWaalsContact C-N 3.33Å; R1523-M1525 PolarHBondContact O-N 3.47Å; R1523-Q1526 HydrophobicContact CB-CB 4.34Å; R1523-Q1526 PolarHBondContact O-N 2.74Å; R1523-S1527 PolarHBondContact O-N 2.84Å; R1523-S1527 VanDerWaalsContact O-N 3.09Å | ||
| 1524 | W | 78.7 | Confident | 77.2 | Confident | 52 Ų | 52 | 43.9 Ų | 43.9 | 20% | 0.197 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.7 | -45.2 | -173.8 | -53.4 | 103.6 | 0 | 0 | 0 | 113 | K1519 N1522 Q1526 S1527 I1528 Y1543 D1546 | K1519-W1524 HydrophobicContact CB-CZ3 4.38Å; K1519-W1524 HydrophobicContact CD-CZ3 4.33Å; K1519-W1524 HydrophobicContact CG-CE3 3.94Å; K1519-W1524 HydrophobicContact CG-CH2 3.96Å; K1519-W1524 HydrophobicContact CG-CZ3 3.31Å; N1522-W1524 VanDerWaalsContact C-N 3.27Å; N1522-W1524 PolarHBondContact O-N 3.13Å; W1524-Q1526 PolarHBondContact O-N 3.03Å; W1524-S1527 WeakPolarHBondContact O-CB 3.38Å; W1524-S1527 PolarHBondContact O-N 2.81Å; W1524-I1528 WeakPolarHBondContact O-CB 3.44Å; W1524-I1528 VanDerWaalsContact O-CG1 3.23Å; W1524-I1528 WeakPolarHBondContact O-CG1 3.47Å; W1524-I1528 PolarHBondContact O-N 2.97Å; W1524-Y1543 VanDerWaalsContact CE3-O 3.28Å; W1524-D1546 HydrophobicContact CH2-CB 4Å; W1524-D1546 HydrophobicContact CZ3-CB 3.7Å |
| 1525 | M | 77.8 | Confident | 77.2 | Confident | 99 Ų | 99 | 50.5 Ų | 50.5 | 49% | 0.488 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | -178.2 | -160.6 | 174.3 | -85.5 | 0 | 0 | 112.1 | R1523 S1527 I1528 D1529 E1555 | R1523-M1525 VanDerWaalsContact C-N 3.33Å; R1523-M1525 PolarHBondContact O-N 3.47Å; M1525-S1527 PolarHBondContact O-N 3.5Å; M1525-I1528 PolarHBondContact O-N 2.76Å; M1525-D1529 WeakPolarHBondContact O-CB 3.39Å; M1525-D1529 PolarHBondContact O-N 3.42Å; M1525-E1555 WeakPolarHBondContact CE-OE2 3.39Å |
| 1526 | Q | 78.1 | Confident | 77.3 | Confident | 90 Ų | 90 | 52 Ų | 52 | 42% | 0.421 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 175.6 | -69.1 | -177.4 | -14.1 | 0 | 0 | 112 | F1518 R1523 W1524 D1529 L1530 | F1518-Q1526 HydrophobicContact CD1-CB 4.33Å; F1518-Q1526 HydrophobicContact CG-CB 4.33Å; R1523-Q1526 HydrophobicContact CB-CB 4.34Å; R1523-Q1526 PolarHBondContact O-N 2.74Å; W1524-Q1526 PolarHBondContact O-N 3.03Å; Q1526-D1529 PolarHBondContact O-N 3.21Å; Q1526-L1530 WeakPolarHBondContact O-CB 3.46Å; Q1526-L1530 PolarHBondContact O-N 3.31Å |
| 1527 | S | 78.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 175.9 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | A1515 R1523 W1524 M1525 L1530 C1531 Y1543 | A1515-S1527 PolarHBondContact O-OG 3.12Å; R1523-S1527 PolarHBondContact O-N 2.84Å; R1523-S1527 VanDerWaalsContact O-N 3.09Å; W1524-S1527 WeakPolarHBondContact O-CB 3.38Å; W1524-S1527 PolarHBondContact O-N 2.81Å; M1525-S1527 PolarHBondContact O-N 3.5Å; S1527-L1530 PolarHBondContact O-N 3.13Å; S1527-C1531 PolarHBondContact O-N 3.05Å; S1527-C1531 PolarHBondContact O-SG 3.41Å; S1527-C1531 VanDerWaalsContact O-SG 3.38Å; S1527-Y1543 WeakPolarHBondContact OG-CD2 3.46Å; S1527-Y1543 VanDerWaalsContact OG-CE2 3.28Å; S1527-Y1543 WeakPolarHBondContact OG-CE2 3.15Å |
| 1528 | I | 76.5 | Confident | 77.3 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 177.7 | -70.1 | 166.1 | 0 | 0 | 0 | 110.3 | W1524 M1525 L1530 C1531 K1532 A1544 L1556 | W1524-I1528 WeakPolarHBondContact O-CB 3.44Å; W1524-I1528 VanDerWaalsContact O-CG1 3.23Å; W1524-I1528 WeakPolarHBondContact O-CG1 3.47Å; W1524-I1528 PolarHBondContact O-N 2.97Å; M1525-I1528 PolarHBondContact O-N 2.76Å; I1528-L1530 VanDerWaalsContact C-N 3.34Å; I1528-L1530 PolarHBondContact O-N 3.2Å; I1528-C1531 CarbonylContact O-C 3.57Å; I1528-C1531 WeakPolarHBondContact O-CB 3.35Å; I1528-C1531 PolarHBondContact O-N 3.15Å; I1528-K1532 HydrophobicContact CG2-CD 4.29Å; I1528-K1532 HydrophobicContact CG2-CG 4.35Å; I1528-K1532 VanDerWaalsContact O-CG 3.32Å; I1528-K1532 WeakPolarHBondContact O-CG 3.35Å; I1528-K1532 PolarHBondContact O-N 2.58Å; I1528-A1544 HydrophobicContact CD1-CB 3.99Å; I1528-L1556 HydrophobicContact CG2-CD1 3.94Å |
| 1529 | D | 79 | Confident | 77.2 | Confident | 73 Ų | 73 | 56.5 Ų | 56.5 | 39% | 0.39 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.6 | -35.2 | 179.4 | -70 | -21.7 | 0 | 0 | 0 | 112.5 | M1525 Q1526 K1532 R1533 | M1525-D1529 WeakPolarHBondContact O-CB 3.39Å; M1525-D1529 PolarHBondContact O-N 3.42Å; Q1526-D1529 PolarHBondContact O-N 3.21Å; D1529-K1532 PolarHBondContact O-N 2.8Å; D1529-K1532 IonicContact OD1-NZ 2.84Å; D1529-K1532 PolarHBondContact OD1-NZ 2.84Å; D1529-R1533 WeakPolarHBondContact O-CB 3.4Å; D1529-R1533 PolarHBondContact O-N 3.41Å |
| 1530 | L | 78.4 | Confident | 77.4 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 171.2 | -169.4 | 70.7 | 0 | 0 | 0 | 111 | E1503 R1511 A1514 A1515 F1518 Q1526 S1527 I1528 K1532 R1533 D1534 | E1503-L1530 HydrophobicContact CB-CD1 4.32Å; E1503-L1530 HydrophobicContact CG-CD1 3.6Å; R1511-L1530 WeakPolarHBondContact O-CD2 3.42Å; A1514-L1530 HydrophobicContact CB-CD2 3.77Å; A1515-L1530 HydrophobicContact CB-CD2 3.9Å; F1518-L1530 HydrophobicContact CD2-CD2 4.4Å; Q1526-L1530 WeakPolarHBondContact O-CB 3.46Å; Q1526-L1530 PolarHBondContact O-N 3.31Å; S1527-L1530 PolarHBondContact O-N 3.13Å; I1528-L1530 VanDerWaalsContact C-N 3.34Å; I1528-L1530 PolarHBondContact O-N 3.2Å; L1530-K1532 VanDerWaalsContact C-N 3.35Å; L1530-K1532 PolarHBondContact O-N 3.42Å; L1530-R1533 PolarHBondContact O-N 2.97Å; L1530-D1534 PolarHBondContact O-N 3.31Å |
| 1531 | C | 78.2 | Confident | 77.7 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.8 | -36.5 | 174.9 | -71.1 | 0 | 0 | 0 | 0 | 112.8 | S1527 I1528 D1534 Q1535 L1536 A1540 Y1543 | S1527-C1531 PolarHBondContact O-N 3.05Å; S1527-C1531 PolarHBondContact O-SG 3.41Å; S1527-C1531 VanDerWaalsContact O-SG 3.38Å; I1528-C1531 CarbonylContact O-C 3.57Å; I1528-C1531 WeakPolarHBondContact O-CB 3.35Å; I1528-C1531 PolarHBondContact O-N 3.15Å; C1531-D1534 PolarHBondContact O-N 3.36Å; C1531-Q1535 PolarHBondContact O-N 3.3Å; C1531-L1536 HydrophobicContact CB-CB 4.19Å; C1531-L1536 PolarHBondContact O-N 3.34Å; C1531-A1540 HydrophobicContact CB-CB 3.81Å; C1531-Y1543 VanDerWaalsContact SG-CE2 3.54Å |
| 1532 | K | 77.6 | Confident | 77.9 | Confident | 31 Ų | 31 | 54 Ų | 54 | 14% | 0.135 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 173.6 | -72.9 | 173.7 | -173.1 | 155.5 | 0 | 110.6 | I1528 D1529 L1530 D1534 Q1535 W1559 | I1528-K1532 HydrophobicContact CG2-CD 4.29Å; I1528-K1532 HydrophobicContact CG2-CG 4.35Å; I1528-K1532 VanDerWaalsContact O-CG 3.32Å; I1528-K1532 WeakPolarHBondContact O-CG 3.35Å; I1528-K1532 PolarHBondContact O-N 2.58Å; D1529-K1532 PolarHBondContact O-N 2.8Å; D1529-K1532 IonicContact OD1-NZ 2.84Å; D1529-K1532 PolarHBondContact OD1-NZ 2.84Å; L1530-K1532 VanDerWaalsContact C-N 3.35Å; L1530-K1532 PolarHBondContact O-N 3.42Å; K1532-D1534 VanDerWaalsContact C-N 3.31Å; K1532-D1534 PolarHBondContact O-N 2.84Å; K1532-Q1535 PolarHBondContact O-N 3.48Å; K1532-W1559 HydrophobicContact CB-CH2 3.92Å; K1532-W1559 HydrophobicContact CB-CZ2 3.85Å; K1532-W1559 HydrophobicContact CB-CZ3 4.46Å; K1532-W1559 HydrophobicContact CD-CD2 3.74Å; K1532-W1559 HydrophobicContact CD-CE3 4.14Å; K1532-W1559 HydrophobicContact CD-CG 4.13Å; K1532-W1559 HydrophobicContact CD-CH2 4.43Å; K1532-W1559 HydrophobicContact CD-CZ2 4.05Å; K1532-W1559 HydrophobicContact CD-CZ3 4.47Å; K1532-W1559 HydrophobicContact CG-CD2 4.03Å; K1532-W1559 HydrophobicContact CG-CE3 3.95Å; K1532-W1559 HydrophobicContact CG-CH2 3.78Å; K1532-W1559 HydrophobicContact CG-CZ2 3.84Å; K1532-W1559 HydrophobicContact CG-CZ3 3.84Å |
| 1533 | R | 76.4 | Confident | 78.1 | Confident | 137 Ų | 137 | 48.9 Ų | 48.9 | 52% | 0.517 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.6 | -39.2 | 179.4 | -170.5 | 176.6 | 74.7 | -159.9 | 6.8 | 112.2 | E1503 D1529 L1530 | E1503-R1533 PolarHBondContact O-NH2 2.81Å; E1503-R1533 IonicContact OE1-CZ 3.21Å; E1503-R1533 IonicContact OE1-NH1 3.03Å; E1503-R1533 PolarHBondContact OE1-NH1 3.45Å; E1503-R1533 IonicContact OE1-NH2 2.76Å; E1503-R1533 PolarHBondContact OE1-NH2 3.32Å; D1529-R1533 WeakPolarHBondContact O-CB 3.4Å; D1529-R1533 PolarHBondContact O-N 3.41Å; L1530-R1533 PolarHBondContact O-N 2.97Å |
| 1534 | D | 77.2 | Confident | 78.2 | Confident | 26 Ų | 26 | 44.5 Ų | 44.5 | 14% | 0.139 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 6.1 | -178.2 | -65.8 | -15.9 | 0 | 0 | 0 | 113.5 | R1511 L1530 C1531 K1532 L1536 | R1511-D1534 WeakPolarHBondContact CB-OD2 3.17Å; R1511-D1534 IonicContact CZ-OD1 3.75Å; R1511-D1534 IonicContact NH1-OD1 2.7Å; R1511-D1534 PolarHBondContact NH1-OD1 2.81Å; R1511-D1534 IonicContact NH1-OD2 2.75Å; L1530-D1534 PolarHBondContact O-N 3.31Å; C1531-D1534 PolarHBondContact O-N 3.36Å; K1532-D1534 VanDerWaalsContact C-N 3.31Å; K1532-D1534 PolarHBondContact O-N 2.84Å; D1534-L1536 HydrophobicContact CB-CD1 4.17Å; D1534-L1536 HydrophobicContact CB-CG 4.23Å; D1534-L1536 PolarHBondContact O-N 2.77Å |
| 1535 | Q | 78.6 | Confident | 78.1 | Confident | 138 Ų | 138 | 46.5 Ų | 46.5 | 65% | 0.645 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 26.7 | -179 | -55.7 | -175.4 | -21.4 | 0 | 0 | 114.9 | C1531 K1532 Y1537 | C1531-Q1535 PolarHBondContact O-N 3.3Å; K1532-Q1535 PolarHBondContact O-N 3.48Å; Q1535-Y1537 VanDerWaalsContact C-N 3.32Å; Q1535-Y1537 HydrophobicContact CB-CE1 4.21Å; Q1535-Y1537 HydrophobicContact CB-CE2 4.32Å; Q1535-Y1537 PolarHBondContact O-N 3.1Å; Q1535-Y1537 VanDerWaalsContact O-N 3.12Å |
| 1536 | L | 77.8 | Confident | 78 | Confident | 34 Ų | 34 | 44 Ų | 44 | 18% | 0.178 | 21% | 0.208 | C | C | . | . | trans | -87.3 | 64.2 | 177.8 | -64.9 | 172.1 | 0 | 0 | 0 | 111.1 | R1512 C1531 D1534 S1538 D1539 A1540 | R1512-L1536 HydrophobicContact CB-CD1 4.28Å; R1512-L1536 HydrophobicContact CG-CD1 4.15Å; C1531-L1536 HydrophobicContact CB-CB 4.19Å; C1531-L1536 PolarHBondContact O-N 3.34Å; D1534-L1536 HydrophobicContact CB-CD1 4.17Å; D1534-L1536 HydrophobicContact CB-CG 4.23Å; D1534-L1536 PolarHBondContact O-N 2.77Å; L1536-S1538 VanDerWaalsContact C-N 3.34Å; L1536-S1538 PolarHBondContact O-N 3.37Å; L1536-D1539 HydrophobicContact CB-CB 4.28Å; L1536-D1539 PolarHBondContact O-N 3.27Å; L1536-D1539 VanDerWaalsContact O-N 3.17Å; L1536-A1540 PolarHBondContact O-N 3.42Å; L1536-A1540 VanDerWaalsContact O-N 3.07Å | ||
| 1537 | Y | 80.2 | Confident | 78 | Confident | 59 Ų | 59 | 40.6 Ų | 40.6 | 23% | 0.231 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.7 | -33 | -170.4 | -52.3 | -44.3 | 0 | 0 | 0 | 114.6 | Q1535 D1539 A1540 M1541 W1559 F1560 L1565 | Q1535-Y1537 VanDerWaalsContact C-N 3.32Å; Q1535-Y1537 HydrophobicContact CB-CE1 4.21Å; Q1535-Y1537 HydrophobicContact CB-CE2 4.32Å; Q1535-Y1537 PolarHBondContact O-N 3.1Å; Q1535-Y1537 VanDerWaalsContact O-N 3.12Å; Y1537-D1539 VanDerWaalsContact C-N 3.34Å; Y1537-A1540 PolarHBondContact O-N 3.1Å; Y1537-M1541 VanDerWaalsContact O-CG 3.29Å; Y1537-M1541 WeakPolarHBondContact O-CG 3.27Å; Y1537-M1541 PolarHBondContact O-N 2.99Å; Y1537-W1559 HydrophobicContact CD1-CH2 4.33Å; Y1537-W1559 HydrophobicContact CD1-CZ3 4.12Å; Y1537-W1559 AromaticContact CE1-CH2 3.75Å; Y1537-W1559 HydrophobicContact CE1-CH2 3.75Å; Y1537-W1559 AromaticContact CE1-CZ3 3.97Å; Y1537-W1559 HydrophobicContact CE1-CZ3 3.97Å; Y1537-F1560 HydrophobicContact CD1-CE1 4.04Å; Y1537-F1560 HydrophobicContact CG-CE1 4.22Å; Y1537-L1565 HydrophobicContact CE1-CD1 4.37Å; Y1537-L1565 HydrophobicContact CE2-CD1 4.07Å |
| 1538 | S | 77 | Confident | 78 | Confident | 77 Ų | 77 | 49.7 Ų | 49.7 | 54% | 0.538 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 175.6 | 60 | 0 | 0 | 0 | 0 | 112.4 | L1536 M1541 Q1542 | L1536-S1538 VanDerWaalsContact C-N 3.34Å; L1536-S1538 PolarHBondContact O-N 3.37Å; S1538-M1541 PolarHBondContact O-N 2.83Å; S1538-Q1542 PolarHBondContact O-N 2.84Å |
| 1539 | D | 77.3 | Confident | 78.2 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.043 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.4 | -40.5 | -178.7 | -63.1 | -13 | 0 | 0 | 0 | 109.1 | R1512 L1536 Y1537 M1541 Q1542 Y1543 | R1512-D1539 IonicContact CZ-OD1 2.71Å; R1512-D1539 IonicContact CZ-OD2 3.05Å; R1512-D1539 VanDerWaalsContact CZ-OD2 3.31Å; R1512-D1539 IonicContact NE-OD1 2.94Å; R1512-D1539 IonicContact NE-OD2 3.23Å; R1512-D1539 PolarHBondContact NE-OD2 2.81Å; R1512-D1539 IonicContact NH2-OD1 3.08Å; R1512-D1539 PolarHBondContact NH2-OD1 2.95Å; R1512-D1539 IonicContact NH2-OD2 3.52Å; R1512-D1539 PolarHBondContact NH2-OD2 2.91Å; R1512-D1539 VanDerWaalsContact NH2-OD2 3.13Å; L1536-D1539 HydrophobicContact CB-CB 4.28Å; L1536-D1539 PolarHBondContact O-N 3.27Å; L1536-D1539 VanDerWaalsContact O-N 3.17Å; Y1537-D1539 VanDerWaalsContact C-N 3.34Å; D1539-M1541 VanDerWaalsContact C-N 3.35Å; D1539-M1541 PolarHBondContact O-N 3.49Å; D1539-Q1542 PolarHBondContact O-N 3.11Å; D1539-Q1542 VanDerWaalsContact O-N 3.15Å; D1539-Y1543 HydrophobicContact CB-CE2 4.07Å; D1539-Y1543 WeakPolarHBondContact O-CD2 3.35Å; D1539-Y1543 PolarHBondContact O-N 2.96Å |
| 1540 | A | 78.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.2 | -45.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C1531 L1536 Y1537 Y1543 A1544 L1556 | C1531-A1540 HydrophobicContact CB-CB 3.81Å; L1536-A1540 PolarHBondContact O-N 3.42Å; L1536-A1540 VanDerWaalsContact O-N 3.07Å; Y1537-A1540 PolarHBondContact O-N 3.1Å; A1540-Y1543 PolarHBondContact O-N 3.11Å; A1540-A1544 WeakPolarHBondContact O-CB 3.41Å; A1540-A1544 PolarHBondContact O-N 3.29Å; A1540-L1556 HydrophobicContact CB-CD1 4.28Å; A1540-L1556 HydrophobicContact CB-CD2 4.4Å; A1540-L1556 WeakPolarHBondContact O-CD2 3.18Å |
| 1541 | M | 78.9 | Confident | 78.4 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 175.8 | -68.8 | 170.5 | -159.2 | 0 | 0 | 111.8 | Y1537 S1538 D1539 A1544 W1545 L1556 F1560 C1568 A1571 C1572 | Y1537-M1541 VanDerWaalsContact O-CG 3.29Å; Y1537-M1541 WeakPolarHBondContact O-CG 3.27Å; Y1537-M1541 PolarHBondContact O-N 2.99Å; S1538-M1541 PolarHBondContact O-N 2.83Å; D1539-M1541 VanDerWaalsContact C-N 3.35Å; D1539-M1541 PolarHBondContact O-N 3.49Å; M1541-A1544 PolarHBondContact O-N 2.65Å; M1541-W1545 PolarHBondContact O-N 2.81Å; M1541-L1556 HydrophobicContact CG-CD2 4.33Å; M1541-F1560 HydrophobicContact CE-CD2 4.45Å; M1541-F1560 HydrophobicContact CE-CE1 4.12Å; M1541-F1560 HydrophobicContact CE-CE2 3.59Å; M1541-F1560 HydrophobicContact CE-CZ 3.4Å; M1541-F1560 VanDerWaalsContact CE-CZ 3.4Å; M1541-F1560 HydrophobicContact CG-CE2 3.78Å; M1541-F1560 HydrophobicContact CG-CZ 3.87Å; M1541-F1560 HydrophobicContact SD-CE2 4.49Å; M1541-C1568 HydrophobicContact CE-CB 3.45Å; M1541-C1568 VanDerWaalsContact CE-CB 3.45Å; M1541-C1568 WeakPolarHBondContact CE-O 3.46Å; M1541-A1571 HydrophobicContact CE-CB 4.07Å; M1541-A1571 HydrophobicContact SD-CB 3.78Å; M1541-C1572 HydrophobicContact CG-CB 4.25Å; M1541-C1572 HydrophobicContact SD-CB 4.46Å |
| 1542 | Q | 77.3 | Confident | 78.5 | Confident | 71 Ų | 71 | 57.7 Ų | 57.7 | 33% | 0.332 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 178.1 | -173.9 | 169.6 | 0.5 | 0 | 0 | 111.7 | S1538 D1539 W1545 D1546 | S1538-Q1542 PolarHBondContact O-N 2.84Å; D1539-Q1542 PolarHBondContact O-N 3.11Å; D1539-Q1542 VanDerWaalsContact O-N 3.15Å; Q1542-W1545 PolarHBondContact O-N 3.46Å; Q1542-D1546 WeakPolarHBondContact O-CB 3.44Å; Q1542-D1546 VanDerWaalsContact O-CG 3.31Å; Q1542-D1546 PolarHBondContact O-N 2.84Å |
| 1543 | Y | 80.8 | Confident | 78.7 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.3 | -33.5 | 178.8 | -59.2 | -20.7 | 0 | 0 | 0 | 112.7 | A1515 K1519 W1524 S1527 C1531 D1539 A1540 W1545 S1547 | A1515-Y1543 HydrophobicContact CB-CE2 3.8Å; K1519-Y1543 HydrophobicContact CB-CD1 4.31Å; K1519-Y1543 HydrophobicContact CB-CE1 4.4Å; K1519-Y1543 HydrophobicContact CB-CG 4.49Å; K1519-Y1543 HydrophobicContact CD-CD1 3.61Å; K1519-Y1543 HydrophobicContact CD-CE1 3.61Å; K1519-Y1543 HydrophobicContact CG-CD1 3.83Å; K1519-Y1543 HydrophobicContact CG-CE1 4.18Å; K1519-Y1543 HydrophobicContact CG-CG 4.28Å; W1524-Y1543 VanDerWaalsContact CE3-O 3.28Å; S1527-Y1543 WeakPolarHBondContact OG-CD2 3.46Å; S1527-Y1543 VanDerWaalsContact OG-CE2 3.28Å; S1527-Y1543 WeakPolarHBondContact OG-CE2 3.15Å; C1531-Y1543 VanDerWaalsContact SG-CE2 3.54Å; D1539-Y1543 HydrophobicContact CB-CE2 4.07Å; D1539-Y1543 WeakPolarHBondContact O-CD2 3.35Å; D1539-Y1543 PolarHBondContact O-N 2.96Å; A1540-Y1543 PolarHBondContact O-N 3.11Å; Y1543-W1545 VanDerWaalsContact C-N 3.35Å; Y1543-S1547 PolarHBondContact O-N 3.04Å; Y1543-S1547 VanDerWaalsContact O-N 3.12Å |
| 1544 | A | 79.2 | Confident | 79 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.4 | -32.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1528 A1540 M1541 S1547 L1556 | I1528-A1544 HydrophobicContact CD1-CB 3.99Å; A1540-A1544 WeakPolarHBondContact O-CB 3.41Å; A1540-A1544 PolarHBondContact O-N 3.29Å; M1541-A1544 PolarHBondContact O-N 2.65Å; A1544-S1547 PolarHBondContact O-OG 3.19Å; A1544-L1556 HydrophobicContact CB-CB 4.48Å; A1544-L1556 HydrophobicContact CB-CD2 3.57Å |
| 1545 | W | 76.4 | Confident | 79.3 | Confident | 93 Ų | 93 | 53 Ų | 53 | 35% | 0.352 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -71.8 | -44.9 | 173.2 | -178.2 | 64.6 | 0 | 0 | 0 | 112.1 | M1541 Q1542 Y1543 S1547 R1548 R1575 D1578 L1579 | M1541-W1545 PolarHBondContact O-N 2.81Å; Q1542-W1545 PolarHBondContact O-N 3.46Å; Y1543-W1545 VanDerWaalsContact C-N 3.35Å; W1545-S1547 PolarHBondContact O-N 3.35Å; W1545-R1548 PolarHBondContact O-N 3.4Å; W1545-R1575 PolarHBondContact NE1-O 2.94Å; W1545-D1578 PolarHBondContact NE1-OD1 3.29Å; W1545-L1579 WeakPolarHBondContact O-CD1 3.11Å |
| 1546 | D | 75.9 | Confident | 79.4 | Confident | 47 Ų | 47 | 46.5 Ų | 46.5 | 25% | 0.251 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.4 | -26.4 | -179.3 | -75.6 | -31.3 | 0 | 0 | 0 | 112.8 | K1519 W1524 Q1542 R1548 | K1519-D1546 WeakPolarHBondContact CE-OD2 3.28Å; K1519-D1546 IonicContact NZ-OD2 2.87Å; K1519-D1546 PolarHBondContact NZ-OD2 3.47Å; W1524-D1546 HydrophobicContact CH2-CB 4Å; W1524-D1546 HydrophobicContact CZ3-CB 3.7Å; Q1542-D1546 WeakPolarHBondContact O-CB 3.44Å; Q1542-D1546 VanDerWaalsContact O-CG 3.31Å; Q1542-D1546 PolarHBondContact O-N 2.84Å; D1546-R1548 PolarHBondContact O-N 2.81Å |
| 1547 | S | 79 | Confident | 79.6 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 13% | 0.133 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.6 | 177 | 76 | 0 | 0 | 0 | 0 | 112.9 | Y1543 A1544 W1545 D1549 T1552 | Y1543-S1547 PolarHBondContact O-N 3.04Å; Y1543-S1547 VanDerWaalsContact O-N 3.12Å; A1544-S1547 PolarHBondContact O-OG 3.19Å; W1545-S1547 PolarHBondContact O-N 3.35Å; S1547-D1549 PolarHBondContact O-N 3.31Å; S1547-D1549 PolarHBondContact OG-N 3.46Å; S1547-D1549 VanDerWaalsContact OG-N 3.13Å; S1547-T1552 PolarHBondContact OG-OG1 3.03Å |
| 1548 | R | 78.5 | Confident | 79.8 | Confident | 191 Ų | 191 | 47.3 Ų | 47.3 | 72% | 0.721 | 22% | 0.223 | S | C | * | . | trans | 50.9 | 17.5 | -168.4 | -63.2 | -166.5 | 176.8 | -167.9 | -0.8 | 114.8 | W1545 D1546 P1550 L1579 | W1545-R1548 PolarHBondContact O-N 3.4Å; D1546-R1548 PolarHBondContact O-N 2.81Å; R1548-P1550 WeakPolarHBondContact O-CD 3.48Å; R1548-L1579 HydrophobicContact CB-CD2 4.07Å; R1548-L1579 HydrophobicContact CG-CD2 4.47Å | ||
| 1549 | D | 80.2 | Confident | 80 | Confident | 60 Ų | 60 | 46 Ų | 46 | 32% | 0.321 | 21% | 0.207 | S | C | . | . | trans | -98.3 | 110.9 | 179.6 | 178.8 | 15.8 | 0 | 0 | 0 | 109.6 | S1547 E1551 T1552 A1553 | S1547-D1549 PolarHBondContact O-N 3.31Å; S1547-D1549 PolarHBondContact OG-N 3.46Å; S1547-D1549 VanDerWaalsContact OG-N 3.13Å; D1549-E1551 PolarHBondContact O-N 3.15Å; D1549-E1551 PolarHBondContact OD1-N 3.31Å; D1549-E1551 VanDerWaalsContact OD1-N 3.12Å; D1549-T1552 HydrophobicContact CB-CG2 4.3Å; D1549-T1552 PolarHBondContact O-N 2.75Å; D1549-T1552 PolarHBondContact O-OG1 3.47Å; D1549-T1552 WeakPolarHBondContact OD2-CG2 3.13Å; D1549-A1553 PolarHBondContact O-N 2.84Å | ||
| 1550 | P | 80.2 | Confident | 80.3 | Confident | 46 Ų | 46 | 45.7 Ų | 45.7 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.4 | -31.6 | 179.5 | 24.3 | -34.5 | 0 | 0 | 0 | 112.4 | R1548 A1553 E1554 L1579 | R1548-P1550 WeakPolarHBondContact O-CD 3.48Å; P1550-A1553 PolarHBondContact O-N 3.19Å; P1550-E1554 WeakPolarHBondContact O-CB 3.12Å; P1550-E1554 VanDerWaalsContact O-CG 3.22Å; P1550-E1554 WeakPolarHBondContact O-CG 3.43Å; P1550-E1554 PolarHBondContact O-N 3.36Å; P1550-L1579 WeakPolarHBondContact CB-O 3.15Å |
| 1551 | E | 82.5 | Confident | 80.3 | Confident | 135 Ų | 135 | 46.6 Ų | 46.6 | 63% | 0.631 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -66 | -45.5 | -179.6 | -64.7 | -171.9 | 175.3 | 0 | 0 | 111.5 | D1549 A1553 E1554 E1555 | D1549-E1551 PolarHBondContact O-N 3.15Å; D1549-E1551 PolarHBondContact OD1-N 3.31Å; D1549-E1551 VanDerWaalsContact OD1-N 3.12Å; E1551-A1553 PolarHBondContact O-N 3.39Å; E1551-E1554 PolarHBondContact O-N 2.8Å; E1551-E1555 WeakPolarHBondContact O-CB 3.04Å; E1551-E1555 PolarHBondContact O-N 3.2Å |
| 1552 | T | 80.3 | Confident | 80.4 | Confident | 12 Ų | 12 | 50 Ų | 50 | 7% | 0.074 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64 | -40 | 176.8 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | S1547 D1549 E1555 L1556 | S1547-T1552 PolarHBondContact OG-OG1 3.03Å; D1549-T1552 HydrophobicContact CB-CG2 4.3Å; D1549-T1552 PolarHBondContact O-N 2.75Å; D1549-T1552 PolarHBondContact O-OG1 3.47Å; D1549-T1552 WeakPolarHBondContact OD2-CG2 3.13Å; T1552-E1555 PolarHBondContact O-N 2.82Å; T1552-L1556 WeakPolarHBondContact O-CB 3.5Å; T1552-L1556 PolarHBondContact O-N 3.39Å |
| 1553 | A | 81.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.6 | -42.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1549 P1550 E1551 L1556 L1557 C1576 L1579 L1580 | D1549-A1553 PolarHBondContact O-N 2.84Å; P1550-A1553 PolarHBondContact O-N 3.19Å; E1551-A1553 PolarHBondContact O-N 3.39Å; A1553-L1556 PolarHBondContact O-N 3.33Å; A1553-L1557 WeakPolarHBondContact O-CB 3.42Å; A1553-L1557 PolarHBondContact O-N 3.34Å; A1553-C1576 HydrophobicContact CB-CB 4.33Å; A1553-L1579 HydrophobicContact CB-CB 4.36Å; A1553-L1579 HydrophobicContact CB-CD1 4.48Å; A1553-L1580 HydrophobicContact CB-CD2 3.97Å |
| 1554 | E | 82.9 | Confident | 80.4 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.019 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 175.4 | -74.2 | 176.8 | -162.4 | 0 | 0 | 112.6 | P1550 E1551 L1557 R1558 L1580 R1581 V1584 | P1550-E1554 WeakPolarHBondContact O-CB 3.12Å; P1550-E1554 VanDerWaalsContact O-CG 3.22Å; P1550-E1554 WeakPolarHBondContact O-CG 3.43Å; P1550-E1554 PolarHBondContact O-N 3.36Å; E1551-E1554 PolarHBondContact O-N 2.8Å; E1554-L1557 WeakPolarHBondContact O-CB 3.1Å; E1554-L1557 PolarHBondContact O-N 3.45Å; E1554-R1558 WeakPolarHBondContact O-CG 3.24Å; E1554-R1558 PolarHBondContact O-N 3.27Å; E1554-R1558 IonicContact OE2-CZ 2.93Å; E1554-R1558 IonicContact OE2-NH1 3.36Å; E1554-R1558 IonicContact OE2-NH2 2.72Å; E1554-R1558 PolarHBondContact OE2-NH2 2.86Å; E1554-L1580 HydrophobicContact CG-CD2 4.08Å; E1554-R1581 VanDerWaalsContact CD-NH2 3.3Å; E1554-R1581 IonicContact OE1-CZ 2.86Å; E1554-R1581 IonicContact OE1-NE 3.15Å; E1554-R1581 PolarHBondContact OE1-NE 3.09Å; E1554-R1581 IonicContact OE1-NH2 2.65Å; E1554-R1581 PolarHBondContact OE1-NH2 3.32Å; E1554-R1581 IonicContact OE2-NH2 3.5Å; E1554-R1581 PolarHBondContact OE2-NH2 3.48Å; E1554-V1584 HydrophobicContact CG-CG1 3.92Å |
| 1555 | E | 82.5 | Confident | 80.5 | Confident | 91 Ų | 91 | 60.1 Ų | 60.1 | 43% | 0.425 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 176.1 | -171.8 | 175.4 | -168.4 | 0 | 0 | 111.7 | M1525 E1551 T1552 L1557 R1558 W1559 | M1525-E1555 WeakPolarHBondContact CE-OE2 3.39Å; E1551-E1555 WeakPolarHBondContact O-CB 3.04Å; E1551-E1555 PolarHBondContact O-N 3.2Å; T1552-E1555 PolarHBondContact O-N 2.82Å; E1555-L1557 VanDerWaalsContact C-N 3.3Å; E1555-L1557 PolarHBondContact O-N 2.78Å; E1555-R1558 PolarHBondContact O-N 2.77Å; E1555-W1559 WeakPolarHBondContact O-CB 3.38Å; E1555-W1559 PolarHBondContact O-N 3.47Å |
| 1556 | L | 81.6 | Confident | 80.5 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 172 | -176.7 | 65.2 | 0 | 0 | 0 | 111.3 | I1528 A1540 M1541 A1544 T1552 A1553 W1559 F1560 | I1528-L1556 HydrophobicContact CG2-CD1 3.94Å; A1540-L1556 HydrophobicContact CB-CD1 4.28Å; A1540-L1556 HydrophobicContact CB-CD2 4.4Å; A1540-L1556 WeakPolarHBondContact O-CD2 3.18Å; M1541-L1556 HydrophobicContact CG-CD2 4.33Å; A1544-L1556 HydrophobicContact CB-CB 4.48Å; A1544-L1556 HydrophobicContact CB-CD2 3.57Å; T1552-L1556 WeakPolarHBondContact O-CB 3.5Å; T1552-L1556 PolarHBondContact O-N 3.39Å; A1553-L1556 PolarHBondContact O-N 3.33Å; L1556-W1559 HydrophobicContact CD1-CE3 4.25Å; L1556-W1559 PolarHBondContact O-N 3.35Å; L1556-F1560 HydrophobicContact CD1-CD2 4.45Å; L1556-F1560 HydrophobicContact CD1-CE1 4.36Å; L1556-F1560 HydrophobicContact CD1-CE2 3.86Å; L1556-F1560 HydrophobicContact CD1-CZ 3.79Å; L1556-F1560 HydrophobicContact CD2-CE2 3.78Å; L1556-F1560 HydrophobicContact CD2-CZ 4.13Å; L1556-F1560 HydrophobicContact CG-CD2 4.04Å; L1556-F1560 HydrophobicContact CG-CE2 3.48Å; L1556-F1560 VanDerWaalsContact CG-CE2 3.48Å; L1556-F1560 HydrophobicContact CG-CZ 3.93Å; L1556-F1560 WeakPolarHBondContact O-CD2 3.46Å; L1556-F1560 PolarHBondContact O-N 3.21Å |
| 1557 | L | 81.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 176.1 | -150.1 | 88.8 | 0 | 0 | 0 | 111.5 | A1553 E1554 E1555 W1559 F1560 L1561 F1569 C1572 L1573 L1580 V1585 L1588 | A1553-L1557 WeakPolarHBondContact O-CB 3.42Å; A1553-L1557 PolarHBondContact O-N 3.34Å; E1554-L1557 WeakPolarHBondContact O-CB 3.1Å; E1554-L1557 PolarHBondContact O-N 3.45Å; E1555-L1557 VanDerWaalsContact C-N 3.3Å; E1555-L1557 PolarHBondContact O-N 2.78Å; L1557-W1559 VanDerWaalsContact C-N 3.3Å; L1557-W1559 PolarHBondContact O-N 2.81Å; L1557-F1560 PolarHBondContact O-N 3.42Å; L1557-L1561 WeakPolarHBondContact O-CG 3.44Å; L1557-L1561 PolarHBondContact O-N 2.77Å; L1557-F1569 HydrophobicContact CD1-CD2 4.03Å; L1557-F1569 HydrophobicContact CD1-CE2 4.15Å; L1557-F1569 HydrophobicContact CD2-CD2 3.97Å; L1557-F1569 HydrophobicContact CD2-CE2 3.34Å; L1557-F1569 HydrophobicContact CD2-CZ 4.15Å; L1557-F1569 HydrophobicContact CG-CD2 3.61Å; L1557-F1569 HydrophobicContact CG-CE2 3.54Å; L1557-C1572 HydrophobicContact CD1-CB 3.74Å; L1557-L1573 HydrophobicContact CD1-CD2 3.86Å; L1557-L1573 HydrophobicContact CD1-CG 4.46Å; L1557-L1573 HydrophobicContact CD2-CD2 4.1Å; L1557-L1580 HydrophobicContact CD1-CD1 3.99Å; L1557-L1580 HydrophobicContact CD1-CD2 4.36Å; L1557-L1580 HydrophobicContact CD2-CD2 4.44Å; L1557-V1585 HydrophobicContact CD2-CG2 4.5Å; L1557-L1588 HydrophobicContact CD2-CD1 3.71Å |
| 1558 | R | 83.2 | Confident | 80.6 | Confident | 110 Ų | 110 | 61.2 Ų | 61.2 | 42% | 0.415 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 175.2 | -71.6 | 178.5 | -166.5 | 108.2 | 8.4 | 111.4 | E1554 E1555 L1561 S1562 L1588 | E1554-R1558 WeakPolarHBondContact O-CG 3.24Å; E1554-R1558 PolarHBondContact O-N 3.27Å; E1554-R1558 IonicContact OE2-CZ 2.93Å; E1554-R1558 IonicContact OE2-NH1 3.36Å; E1554-R1558 IonicContact OE2-NH2 2.72Å; E1554-R1558 PolarHBondContact OE2-NH2 2.86Å; E1555-R1558 PolarHBondContact O-N 2.77Å; R1558-L1561 PolarHBondContact O-N 3.29Å; R1558-S1562 PolarHBondContact O-N 3.15Å; R1558-L1588 HydrophobicContact CG-CD1 3.86Å; R1558-L1588 HydrophobicContact CG-CD2 3.92Å |
| 1559 | W | 82 | Confident | 80.8 | Confident | 51 Ų | 51 | 52.1 Ų | 52.1 | 19% | 0.193 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 178.7 | -176.9 | 78 | 0 | 0 | 0 | 112.7 | K1532 Y1537 E1555 L1556 L1557 L1561 S1562 E1563 | K1532-W1559 HydrophobicContact CB-CH2 3.92Å; K1532-W1559 HydrophobicContact CB-CZ2 3.85Å; K1532-W1559 HydrophobicContact CB-CZ3 4.46Å; K1532-W1559 HydrophobicContact CD-CD2 3.74Å; K1532-W1559 HydrophobicContact CD-CE3 4.14Å; K1532-W1559 HydrophobicContact CD-CG 4.13Å; K1532-W1559 HydrophobicContact CD-CH2 4.43Å; K1532-W1559 HydrophobicContact CD-CZ2 4.05Å; K1532-W1559 HydrophobicContact CD-CZ3 4.47Å; K1532-W1559 HydrophobicContact CG-CD2 4.03Å; K1532-W1559 HydrophobicContact CG-CE3 3.95Å; K1532-W1559 HydrophobicContact CG-CH2 3.78Å; K1532-W1559 HydrophobicContact CG-CZ2 3.84Å; K1532-W1559 HydrophobicContact CG-CZ3 3.84Å; Y1537-W1559 HydrophobicContact CD1-CH2 4.33Å; Y1537-W1559 HydrophobicContact CD1-CZ3 4.12Å; Y1537-W1559 AromaticContact CE1-CH2 3.75Å; Y1537-W1559 HydrophobicContact CE1-CH2 3.75Å; Y1537-W1559 AromaticContact CE1-CZ3 3.97Å; Y1537-W1559 HydrophobicContact CE1-CZ3 3.97Å; E1555-W1559 WeakPolarHBondContact O-CB 3.38Å; E1555-W1559 PolarHBondContact O-N 3.47Å; L1556-W1559 HydrophobicContact CD1-CE3 4.25Å; L1556-W1559 PolarHBondContact O-N 3.35Å; L1557-W1559 VanDerWaalsContact C-N 3.3Å; L1557-W1559 PolarHBondContact O-N 2.81Å; W1559-L1561 PolarHBondContact O-N 2.77Å; W1559-S1562 WeakPolarHBondContact CA-OG 3.48Å; W1559-S1562 PolarHBondContact O-N 3.47Å; W1559-S1562 VanDerWaalsContact O-N 3.15Å; W1559-S1562 PolarHBondContact O-OG 2.79Å; W1559-E1563 HydrophobicContact CD2-CG 4.12Å; W1559-E1563 HydrophobicContact CH2-CG 4.11Å; W1559-E1563 HydrophobicContact CZ2-CG 3.61Å; W1559-E1563 PolarHBondContact O-N 3.21Å |
| 1560 | F | 83 | Confident | 80.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59 | -35.3 | 174.3 | -72.3 | -46.9 | 0 | 0 | 0 | 112.3 | Y1537 M1541 L1556 L1557 N1564 L1565 C1568 C1572 | Y1537-F1560 HydrophobicContact CD1-CE1 4.04Å; Y1537-F1560 HydrophobicContact CG-CE1 4.22Å; M1541-F1560 HydrophobicContact CE-CD2 4.45Å; M1541-F1560 HydrophobicContact CE-CE1 4.12Å; M1541-F1560 HydrophobicContact CE-CE2 3.59Å; M1541-F1560 HydrophobicContact CE-CZ 3.4Å; M1541-F1560 VanDerWaalsContact CE-CZ 3.4Å; M1541-F1560 HydrophobicContact CG-CE2 3.78Å; M1541-F1560 HydrophobicContact CG-CZ 3.87Å; M1541-F1560 HydrophobicContact SD-CE2 4.49Å; L1556-F1560 HydrophobicContact CD1-CD2 4.45Å; L1556-F1560 HydrophobicContact CD1-CE1 4.36Å; L1556-F1560 HydrophobicContact CD1-CE2 3.86Å; L1556-F1560 HydrophobicContact CD1-CZ 3.79Å; L1556-F1560 HydrophobicContact CD2-CE2 3.78Å; L1556-F1560 HydrophobicContact CD2-CZ 4.13Å; L1556-F1560 HydrophobicContact CG-CD2 4.04Å; L1556-F1560 HydrophobicContact CG-CE2 3.48Å; L1556-F1560 VanDerWaalsContact CG-CE2 3.48Å; L1556-F1560 HydrophobicContact CG-CZ 3.93Å; L1556-F1560 WeakPolarHBondContact O-CD2 3.46Å; L1556-F1560 PolarHBondContact O-N 3.21Å; L1557-F1560 PolarHBondContact O-N 3.42Å; F1560-N1564 PolarHBondContact O-N 3.42Å; F1560-L1565 HydrophobicContact CD1-CD1 4.28Å; F1560-L1565 PolarHBondContact O-N 2.96Å; F1560-C1568 HydrophobicContact CB-CB 4.29Å; F1560-C1568 HydrophobicContact CD1-CB 3.5Å; F1560-C1568 HydrophobicContact CD2-CB 4.07Å; F1560-C1568 HydrophobicContact CE1-CB 3.71Å; F1560-C1568 HydrophobicContact CE2-CB 4.24Å; F1560-C1568 HydrophobicContact CG-CB 3.72Å; F1560-C1568 HydrophobicContact CZ-CB 4.09Å; F1560-C1572 HydrophobicContact CD2-CB 4.21Å; F1560-C1572 HydrophobicContact CE2-CB 4.07Å |
| 1561 | L | 79.2 | Confident | 80.7 | Confident | 19 Ų | 19 | 50.6 Ų | 50.6 | 10% | 0.099 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.1 | -39.7 | 175.6 | -66.4 | 171 | 0 | 0 | 0 | 112.5 | L1557 R1558 W1559 E1563 N1564 F1569 L1588 N1592 L1594 | L1557-L1561 WeakPolarHBondContact O-CG 3.44Å; L1557-L1561 PolarHBondContact O-N 2.77Å; R1558-L1561 PolarHBondContact O-N 3.29Å; W1559-L1561 PolarHBondContact O-N 2.77Å; L1561-E1563 VanDerWaalsContact C-N 3.31Å; L1561-E1563 PolarHBondContact O-N 2.89Å; L1561-N1564 PolarHBondContact O-N 3.5Å; L1561-N1564 VanDerWaalsContact O-N 3.09Å; L1561-F1569 HydrophobicContact CD1-CD2 3.73Å; L1561-F1569 HydrophobicContact CD1-CE2 3.6Å; L1561-F1569 HydrophobicContact CD2-CB 4.18Å; L1561-F1569 HydrophobicContact CD2-CD2 3.56Å; L1561-F1569 HydrophobicContact CD2-CE2 4.04Å; L1561-F1569 HydrophobicContact CD2-CG 3.89Å; L1561-F1569 HydrophobicContact CG-CD2 3.61Å; L1561-F1569 HydrophobicContact CG-CE2 4.03Å; L1561-F1569 HydrophobicContact CG-CG 4.37Å; L1561-L1588 HydrophobicContact CD1-CB 3.86Å; L1561-L1588 HydrophobicContact CD1-CD2 4.28Å; L1561-L1588 HydrophobicContact CD1-CG 4.46Å; L1561-N1592 HydrophobicContact CD2-CB 4.17Å; L1561-L1594 HydrophobicContact CD2-CD1 3.24Å |
| 1562 | S | 81 | Confident | 80.6 | Confident | 86 Ų | 86 | 44.1 Ų | 44.1 | 60% | 0.601 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -66.3 | -33 | 176.6 | 59.9 | 0 | 0 | 0 | 0 | 113.1 | R1558 W1559 N1564 | R1558-S1562 PolarHBondContact O-N 3.15Å; W1559-S1562 WeakPolarHBondContact CA-OG 3.48Å; W1559-S1562 PolarHBondContact O-N 3.47Å; W1559-S1562 VanDerWaalsContact O-N 3.15Å; W1559-S1562 PolarHBondContact O-OG 2.79Å; S1562-N1564 PolarHBondContact O-N 2.82Å |
| 1563 | E | 79.2 | Confident | 80.6 | Confident | 113 Ų | 113 | 43.8 Ų | 43.8 | 53% | 0.528 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 2.5 | 173.8 | -65.9 | -63.7 | 147.4 | 0 | 0 | 113.1 | W1559 L1561 L1565 | W1559-E1563 HydrophobicContact CD2-CG 4.12Å; W1559-E1563 HydrophobicContact CH2-CG 4.11Å; W1559-E1563 HydrophobicContact CZ2-CG 3.61Å; W1559-E1563 PolarHBondContact O-N 3.21Å; L1561-E1563 VanDerWaalsContact C-N 3.31Å; L1561-E1563 PolarHBondContact O-N 2.89Å; E1563-L1565 HydrophobicContact CB-CD1 4.19Å; E1563-L1565 HydrophobicContact CB-CG 4.35Å; E1563-L1565 PolarHBondContact O-N 2.68Å |
| 1564 | N | 79.5 | Confident | 80.5 | Confident | 135 Ų | 135 | 53.2 Ų | 53.2 | 72% | 0.722 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 43.2 | 179.6 | -162.3 | 36.8 | 0 | 0 | 0 | 113.9 | F1560 L1561 S1562 P1566 | F1560-N1564 PolarHBondContact O-N 3.42Å; L1561-N1564 PolarHBondContact O-N 3.5Å; L1561-N1564 VanDerWaalsContact O-N 3.09Å; S1562-N1564 PolarHBondContact O-N 2.82Å; N1564-P1566 VanDerWaalsContact C-CD 3.45Å; N1564-P1566 WeakPolarHBondContact O-CD 3.27Å |
| 1565 | L | 79.5 | Confident | 80.3 | Confident | 49 Ų | 49 | 59.4 Ų | 59.4 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | trans | -107.5 | 77.5 | 177.9 | -68.1 | 170.7 | 0 | 0 | 0 | 111.8 | Y1537 F1560 E1563 D1567 C1568 F1569 | Y1537-L1565 HydrophobicContact CE1-CD1 4.37Å; Y1537-L1565 HydrophobicContact CE2-CD1 4.07Å; F1560-L1565 HydrophobicContact CD1-CD1 4.28Å; F1560-L1565 PolarHBondContact O-N 2.96Å; E1563-L1565 HydrophobicContact CB-CD1 4.19Å; E1563-L1565 HydrophobicContact CB-CG 4.35Å; E1563-L1565 PolarHBondContact O-N 2.68Å; L1565-D1567 PolarHBondContact O-N 2.72Å; L1565-C1568 HydrophobicContact CB-CB 4.01Å; L1565-C1568 PolarHBondContact O-N 2.69Å; L1565-F1569 PolarHBondContact O-N 3Å; L1565-F1569 VanDerWaalsContact O-N 3.14Å | ||
| 1566 | P | 76.4 | Confident | 80.1 | Confident | 42 Ų | 42 | 55 Ų | 55 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66 | -32.2 | -175.4 | 26.7 | -35.3 | 0 | 0 | 0 | 113.8 | N1564 C1568 F1569 A1570 L1594 M1597 | N1564-P1566 VanDerWaalsContact C-CD 3.45Å; N1564-P1566 WeakPolarHBondContact O-CD 3.27Å; P1566-C1568 VanDerWaalsContact C-N 3.31Å; P1566-C1568 PolarHBondContact O-N 3.09Å; P1566-F1569 WeakPolarHBondContact O-CB 3.14Å; P1566-F1569 PolarHBondContact O-N 2.76Å; P1566-A1570 PolarHBondContact O-N 3.32Å; P1566-L1594 HydrophobicContact CB-CD1 4.24Å; P1566-L1594 HydrophobicContact CB-CD2 3.74Å; P1566-M1597 HydrophobicContact CB-SD 4.4Å |
| 1567 | D | 80.2 | Confident | 79.9 | Confident | 118 Ų | 118 | 57.2 Ų | 57.2 | 63% | 0.631 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.9 | -37.5 | 177.3 | -61.1 | -33.5 | 0 | 0 | 0 | 111.4 | L1565 A1570 A1571 | L1565-D1567 PolarHBondContact O-N 2.72Å; D1567-A1570 PolarHBondContact O-N 3.08Å; D1567-A1571 WeakPolarHBondContact O-CB 3.37Å; D1567-A1571 PolarHBondContact O-N 2.89Å |
| 1568 | C | 77.8 | Confident | 79.7 | Confident | 21 Ų | 21 | 61.8 Ų | 61.8 | 14% | 0.142 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70 | -34.6 | 175.5 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | M1541 F1560 L1565 P1566 A1571 C1572 | M1541-C1568 HydrophobicContact CE-CB 3.45Å; M1541-C1568 VanDerWaalsContact CE-CB 3.45Å; M1541-C1568 WeakPolarHBondContact CE-O 3.46Å; F1560-C1568 HydrophobicContact CB-CB 4.29Å; F1560-C1568 HydrophobicContact CD1-CB 3.5Å; F1560-C1568 HydrophobicContact CD2-CB 4.07Å; F1560-C1568 HydrophobicContact CE1-CB 3.71Å; F1560-C1568 HydrophobicContact CE2-CB 4.24Å; F1560-C1568 HydrophobicContact CG-CB 3.72Å; F1560-C1568 HydrophobicContact CZ-CB 4.09Å; L1565-C1568 HydrophobicContact CB-CB 4.01Å; L1565-C1568 PolarHBondContact O-N 2.69Å; P1566-C1568 VanDerWaalsContact C-N 3.31Å; P1566-C1568 PolarHBondContact O-N 3.09Å; C1568-A1571 PolarHBondContact O-N 3.32Å; C1568-C1572 VanDerWaalsContact O-CB 3.25Å; C1568-C1572 WeakPolarHBondContact O-CB 3.11Å; C1568-C1572 PolarHBondContact O-N 3.05Å |
| 1569 | F | 81.5 | Confident | 79.4 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.8 | -52.3 | 171.4 | 175.4 | -94.6 | 0 | 0 | 0 | 111 | L1557 L1561 L1565 P1566 A1571 C1572 L1573 L1588 A1589 L1594 A1598 | L1557-F1569 HydrophobicContact CD1-CD2 4.03Å; L1557-F1569 HydrophobicContact CD1-CE2 4.15Å; L1557-F1569 HydrophobicContact CD2-CD2 3.97Å; L1557-F1569 HydrophobicContact CD2-CE2 3.34Å; L1557-F1569 HydrophobicContact CD2-CZ 4.15Å; L1557-F1569 HydrophobicContact CG-CD2 3.61Å; L1557-F1569 HydrophobicContact CG-CE2 3.54Å; L1561-F1569 HydrophobicContact CD1-CD2 3.73Å; L1561-F1569 HydrophobicContact CD1-CE2 3.6Å; L1561-F1569 HydrophobicContact CD2-CB 4.18Å; L1561-F1569 HydrophobicContact CD2-CD2 3.56Å; L1561-F1569 HydrophobicContact CD2-CE2 4.04Å; L1561-F1569 HydrophobicContact CD2-CG 3.89Å; L1561-F1569 HydrophobicContact CG-CD2 3.61Å; L1561-F1569 HydrophobicContact CG-CE2 4.03Å; L1561-F1569 HydrophobicContact CG-CG 4.37Å; L1565-F1569 PolarHBondContact O-N 3Å; L1565-F1569 VanDerWaalsContact O-N 3.14Å; P1566-F1569 WeakPolarHBondContact O-CB 3.14Å; P1566-F1569 PolarHBondContact O-N 2.76Å; F1569-A1571 PolarHBondContact O-N 3.43Å; F1569-C1572 PolarHBondContact O-N 2.89Å; F1569-L1573 HydrophobicContact CD1-CD1 4.11Å; F1569-L1573 HydrophobicContact CD1-CG 4.42Å; F1569-L1573 HydrophobicContact CE1-CD1 3.56Å; F1569-L1573 HydrophobicContact CE1-CG 4.15Å; F1569-L1573 HydrophobicContact CZ-CD1 4.01Å; F1569-L1573 HydrophobicContact CZ-CD2 4.3Å; F1569-L1573 HydrophobicContact CZ-CG 4.35Å; F1569-L1573 WeakPolarHBondContact O-CG 3.21Å; F1569-L1573 PolarHBondContact O-N 3.39Å; F1569-L1588 HydrophobicContact CE2-CB 4.41Å; F1569-A1589 HydrophobicContact CE1-CB 4.34Å; F1569-A1589 HydrophobicContact CZ-CB 4.11Å; F1569-L1594 HydrophobicContact CD1-CD1 4.21Å; F1569-L1594 HydrophobicContact CE1-CB 4.32Å; F1569-L1594 HydrophobicContact CG-CD1 4.43Å; F1569-A1598 HydrophobicContact CE1-CB 4.48Å |
| 1570 | A | 79.9 | Confident | 79.4 | Confident | 30 Ų | 30 | 55.4 Ų | 55.4 | 25% | 0.248 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1566 D1567 L1573 Y1574 M1597 | P1566-A1570 PolarHBondContact O-N 3.32Å; D1567-A1570 PolarHBondContact O-N 3.08Å; A1570-L1573 WeakPolarHBondContact O-CB 3.48Å; A1570-L1573 PolarHBondContact O-N 2.8Å; A1570-Y1574 PolarHBondContact O-N 2.8Å; A1570-Y1574 VanDerWaalsContact O-N 3.17Å; A1570-M1597 HydrophobicContact CB-CB 4.22Å; A1570-M1597 HydrophobicContact CB-SD 3.91Å |
| 1571 | A | 78.6 | Confident | 79.3 | Confident | 44 Ų | 44 | 61 Ų | 61 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64 | -39.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1541 D1567 C1568 F1569 Y1574 R1575 | M1541-A1571 HydrophobicContact CE-CB 4.07Å; M1541-A1571 HydrophobicContact SD-CB 3.78Å; D1567-A1571 WeakPolarHBondContact O-CB 3.37Å; D1567-A1571 PolarHBondContact O-N 2.89Å; C1568-A1571 PolarHBondContact O-N 3.32Å; F1569-A1571 PolarHBondContact O-N 3.43Å; A1571-Y1574 PolarHBondContact O-N 3.44Å; A1571-R1575 WeakPolarHBondContact O-CB 3.28Å; A1571-R1575 PolarHBondContact O-N 2.82Å |
| 1572 | C | 80.4 | Confident | 79.4 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.7 | -37.4 | 175.9 | -166.1 | 0 | 0 | 0 | 0 | 111.7 | M1541 L1557 F1560 C1568 F1569 Y1574 R1575 C1576 | M1541-C1572 HydrophobicContact CG-CB 4.25Å; M1541-C1572 HydrophobicContact SD-CB 4.46Å; L1557-C1572 HydrophobicContact CD1-CB 3.74Å; F1560-C1572 HydrophobicContact CD2-CB 4.21Å; F1560-C1572 HydrophobicContact CE2-CB 4.07Å; C1568-C1572 VanDerWaalsContact O-CB 3.25Å; C1568-C1572 WeakPolarHBondContact O-CB 3.11Å; C1568-C1572 PolarHBondContact O-N 3.05Å; F1569-C1572 PolarHBondContact O-N 2.89Å; C1572-Y1574 VanDerWaalsContact C-N 3.29Å; C1572-Y1574 PolarHBondContact O-N 3.44Å; C1572-R1575 PolarHBondContact O-N 2.86Å; C1572-C1576 WeakPolarHBondContact O-CA 3.45Å; C1572-C1576 VanDerWaalsContact O-CB 3.31Å; C1572-C1576 WeakPolarHBondContact O-CB 3.47Å; C1572-C1576 PolarHBondContact O-N 3.43Å |
| 1573 | L | 81.3 | Confident | 79.4 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.6 | -37.8 | 172.5 | -66 | -174.4 | 0 | 0 | 0 | 112.6 | L1557 F1569 A1570 Y1577 L1580 V1585 A1598 F1601 | L1557-L1573 HydrophobicContact CD1-CD2 3.86Å; L1557-L1573 HydrophobicContact CD1-CG 4.46Å; L1557-L1573 HydrophobicContact CD2-CD2 4.1Å; F1569-L1573 HydrophobicContact CD1-CD1 4.11Å; F1569-L1573 HydrophobicContact CD1-CG 4.42Å; F1569-L1573 HydrophobicContact CE1-CD1 3.56Å; F1569-L1573 HydrophobicContact CE1-CG 4.15Å; F1569-L1573 HydrophobicContact CZ-CD1 4.01Å; F1569-L1573 HydrophobicContact CZ-CD2 4.3Å; F1569-L1573 HydrophobicContact CZ-CG 4.35Å; F1569-L1573 WeakPolarHBondContact O-CG 3.21Å; F1569-L1573 PolarHBondContact O-N 3.39Å; A1570-L1573 WeakPolarHBondContact O-CB 3.48Å; A1570-L1573 PolarHBondContact O-N 2.8Å; L1573-Y1577 WeakPolarHBondContact O-CA 3.47Å; L1573-Y1577 PolarHBondContact O-N 3.43Å; L1573-L1580 HydrophobicContact CD2-CD1 3.78Å; L1573-V1585 HydrophobicContact CD1-CG1 4.01Å; L1573-V1585 HydrophobicContact CD2-CB 4.22Å; L1573-V1585 HydrophobicContact CD2-CG1 3.51Å; L1573-V1585 HydrophobicContact CD2-CG2 3.64Å; L1573-V1585 HydrophobicContact CG-CG1 4.43Å; L1573-A1598 HydrophobicContact CD1-CB 3.79Å; L1573-F1601 HydrophobicContact CB-CB 4.47Å; L1573-F1601 HydrophobicContact CB-CD2 4.37Å |
| 1574 | Y | 79.6 | Confident | 79.5 | Confident | 199 Ų | 199 | 58.5 Ų | 58.5 | 78% | 0.78 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -75.1 | -42.7 | 178.5 | -170.1 | -95 | 0 | 0 | 0 | 112.1 | A1570 A1571 C1572 | A1570-Y1574 PolarHBondContact O-N 2.8Å; A1570-Y1574 VanDerWaalsContact O-N 3.17Å; A1571-Y1574 PolarHBondContact O-N 3.44Å; C1572-Y1574 VanDerWaalsContact C-N 3.29Å; C1572-Y1574 PolarHBondContact O-N 3.44Å |
| 1575 | R | 78 | Confident | 79.7 | Confident | 133 Ų | 133 | 52.1 Ų | 52.1 | 50% | 0.502 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -75.6 | -43.5 | -176.3 | -156 | 78.8 | 170.4 | -172.9 | -1.6 | 112.1 | W1545 A1571 C1572 Y1577 | W1545-R1575 PolarHBondContact NE1-O 2.94Å; A1571-R1575 WeakPolarHBondContact O-CB 3.28Å; A1571-R1575 PolarHBondContact O-N 2.82Å; C1572-R1575 PolarHBondContact O-N 2.86Å; R1575-Y1577 VanDerWaalsContact C-N 3.34Å |
| 1576 | C | 78.4 | Confident | 79.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 28.1 | -178.1 | -57.8 | 0 | 0 | 0 | 0 | 113.1 | A1553 C1572 D1578 L1579 L1580 | A1553-C1576 HydrophobicContact CB-CB 4.33Å; C1572-C1576 WeakPolarHBondContact O-CA 3.45Å; C1572-C1576 VanDerWaalsContact O-CB 3.31Å; C1572-C1576 WeakPolarHBondContact O-CB 3.47Å; C1572-C1576 PolarHBondContact O-N 3.43Å; C1576-D1578 VanDerWaalsContact C-N 3.27Å; C1576-D1578 PolarHBondContact O-N 3.31Å; C1576-L1579 PolarHBondContact O-N 3.35Å; C1576-L1579 VanDerWaalsContact O-N 3.15Å; C1576-L1580 HydrophobicContact CB-CD1 3.89Å; C1576-L1580 HydrophobicContact CB-CG 4.08Å; C1576-L1580 VanDerWaalsContact O-CG 3.31Å; C1576-L1580 WeakPolarHBondContact O-CG 3.37Å; C1576-L1580 PolarHBondContact O-N 3.17Å |
| 1577 | Y | 77.9 | Confident | 80 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 18% | 0.184 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -40 | -171.3 | 170 | -93.6 | 0 | 0 | 0 | 113.6 | L1573 R1575 F1601 Q1604 T1605 E1608 | L1573-Y1577 WeakPolarHBondContact O-CA 3.47Å; L1573-Y1577 PolarHBondContact O-N 3.43Å; R1575-Y1577 VanDerWaalsContact C-N 3.34Å; Y1577-F1601 AromaticContact CD2-CD2 3.37Å; Y1577-F1601 HydrophobicContact CD2-CD2 3.37Å; Y1577-F1601 AromaticContact CD2-CE2 3.57Å; Y1577-F1601 HydrophobicContact CD2-CE2 3.57Å; Y1577-F1601 HydrophobicContact CD2-CG 4.21Å; Y1577-F1601 AromaticContact CE2-CD2 3.87Å; Y1577-F1601 HydrophobicContact CE2-CD2 3.87Å; Y1577-F1601 AromaticContact CE2-CE2 3.99Å; Y1577-F1601 HydrophobicContact CE2-CE2 3.99Å; Y1577-F1601 HydrophobicContact CE2-CG 4.35Å; Y1577-F1601 HydrophobicContact CG-CD2 4.34Å; Y1577-F1601 HydrophobicContact CG-CE2 4.25Å; Y1577-F1601 WeakPolarHBondContact O-CE2 3.31Å; Y1577-Q1604 HydrophobicContact CE1-CG 4.37Å; Y1577-Q1604 HydrophobicContact CE2-CB 3.81Å; Y1577-Q1604 HydrophobicContact CE2-CG 3.85Å; Y1577-Q1604 VanDerWaalsContact OH-C 3.26Å; Y1577-Q1604 WeakPolarHBondContact OH-CG 3.13Å; Y1577-T1605 WeakPolarHBondContact OH-CA 3.49Å; Y1577-T1605 PolarHBondContact OH-N 3.4Å; Y1577-T1605 VanDerWaalsContact OH-N 3.09Å; Y1577-T1605 PolarHBondContact OH-OG1 3.2Å; Y1577-E1608 WeakPolarHBondContact CE1-OE2 3.27Å; Y1577-E1608 VanDerWaalsContact OH-CD 3.24Å; Y1577-E1608 PolarHBondContact OH-OE2 3.17Å |
| 1578 | D | 76.7 | Confident | 80 | Confident | 96 Ų | 96 | 50.8 Ų | 50.8 | 51% | 0.513 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -17.8 | -175.2 | 55.3 | -35.4 | 0 | 0 | 0 | 114.5 | W1545 C1576 | W1545-D1578 PolarHBondContact NE1-OD1 3.29Å; C1576-D1578 VanDerWaalsContact C-N 3.27Å; C1576-D1578 PolarHBondContact O-N 3.31Å |
| 1579 | L | 77.7 | Confident | 80.3 | Confident | 22 Ų | 22 | 49.9 Ų | 49.9 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -30.1 | -178.4 | -58.9 | 177.7 | 0 | 0 | 0 | 112.8 | W1545 R1548 P1550 A1553 C1576 R1581 | W1545-L1579 WeakPolarHBondContact O-CD1 3.11Å; R1548-L1579 HydrophobicContact CB-CD2 4.07Å; R1548-L1579 HydrophobicContact CG-CD2 4.47Å; P1550-L1579 WeakPolarHBondContact CB-O 3.15Å; A1553-L1579 HydrophobicContact CB-CB 4.36Å; A1553-L1579 HydrophobicContact CB-CD1 4.48Å; C1576-L1579 PolarHBondContact O-N 3.35Å; C1576-L1579 VanDerWaalsContact O-N 3.15Å; L1579-R1581 PolarHBondContact O-N 2.86Å |
| 1580 | L | 80.4 | Confident | 80.3 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -78 | 125.9 | -173.2 | -68 | 168.4 | 0 | 0 | 0 | 110.4 | A1553 E1554 L1557 L1573 C1576 V1585 F1601 | A1553-L1580 HydrophobicContact CB-CD2 3.97Å; E1554-L1580 HydrophobicContact CG-CD2 4.08Å; L1557-L1580 HydrophobicContact CD1-CD1 3.99Å; L1557-L1580 HydrophobicContact CD1-CD2 4.36Å; L1557-L1580 HydrophobicContact CD2-CD2 4.44Å; L1573-L1580 HydrophobicContact CD2-CD1 3.78Å; C1576-L1580 HydrophobicContact CB-CD1 3.89Å; C1576-L1580 HydrophobicContact CB-CG 4.08Å; C1576-L1580 VanDerWaalsContact O-CG 3.31Å; C1576-L1580 WeakPolarHBondContact O-CG 3.37Å; C1576-L1580 PolarHBondContact O-N 3.17Å; L1580-V1585 HydrophobicContact CB-CG2 3.73Å; L1580-V1585 HydrophobicContact CD1-CG2 4.39Å; L1580-F1601 HydrophobicContact CB-CE2 4.1Å; L1580-F1601 HydrophobicContact CB-CZ 4.19Å; L1580-F1601 WeakPolarHBondContact O-CZ 3.28Å |
| 1581 | R | 81.6 | Confident | 80.4 | Confident | 116 Ų | 116 | 64.6 Ų | 64.6 | 44% | 0.438 | 29% | 0.291 | S | S | . | . | trans | -74.9 | 131.4 | 177.8 | -62.2 | 177.3 | -79.1 | -171.9 | -7.6 | 110 | E1554 L1579 D1583 V1584 V1585 | E1554-R1581 VanDerWaalsContact CD-NH2 3.3Å; E1554-R1581 IonicContact OE1-CZ 2.86Å; E1554-R1581 IonicContact OE1-NE 3.15Å; E1554-R1581 PolarHBondContact OE1-NE 3.09Å; E1554-R1581 IonicContact OE1-NH2 2.65Å; E1554-R1581 PolarHBondContact OE1-NH2 3.32Å; E1554-R1581 IonicContact OE2-NH2 3.5Å; E1554-R1581 PolarHBondContact OE2-NH2 3.48Å; L1579-R1581 PolarHBondContact O-N 2.86Å; R1581-D1583 WeakPolarHBondContact CB-OD1 3.2Å; R1581-D1583 PolarHBondContact O-N 2.91Å; R1581-V1584 HydrophobicContact CB-CB 4.48Å; R1581-V1584 HydrophobicContact CB-CG2 4.14Å; R1581-V1584 PolarHBondContact O-N 2.69Å; R1581-V1584 VanDerWaalsContact O-N 3.09Å; R1581-V1585 PolarHBondContact O-N 3.49Å | ||
| 1582 | P | 81.7 | Confident | 80.4 | Confident | 53 Ų | 53 | 66.5 Ų | 66.5 | 34% | 0.344 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.9 | -31.1 | -174.2 | -25.9 | 34.3 | 0 | 0 | 0 | 114.8 | L1586 F1601 T1605 | P1582-L1586 VanDerWaalsContact O-CB 3.25Å; P1582-L1586 WeakPolarHBondContact O-CB 3.28Å; P1582-L1586 PolarHBondContact O-N 3.49Å; P1582-F1601 HydrophobicContact CB-CE1 4.12Å; P1582-F1601 HydrophobicContact CG-CE1 4.22Å; P1582-F1601 HydrophobicContact CG-CZ 4.48Å; P1582-T1605 HydrophobicContact CB-CG2 4.25Å; P1582-T1605 HydrophobicContact CG-CG2 3.39Å |
| 1583 | D | 80.7 | Confident | 80.5 | Confident | 105 Ų | 105 | 69.6 Ų | 69.6 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.1 | -45.1 | 174.6 | 59.1 | -29.7 | 0 | 0 | 0 | 111.7 | R1581 L1586 E1587 | R1581-D1583 WeakPolarHBondContact CB-OD1 3.2Å; R1581-D1583 PolarHBondContact O-N 2.91Å; D1583-L1586 PolarHBondContact O-N 2.99Å; D1583-E1587 WeakPolarHBondContact O-CB 3.48Å; D1583-E1587 PolarHBondContact O-N 2.85Å |
| 1584 | V | 81.8 | Confident | 80.5 | Confident | 9 Ų | 9 | 71 Ų | 71 | 6% | 0.055 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67 | -42.4 | 178.4 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | E1554 R1581 E1587 L1588 | E1554-V1584 HydrophobicContact CG-CG1 3.92Å; R1581-V1584 HydrophobicContact CB-CB 4.48Å; R1581-V1584 HydrophobicContact CB-CG2 4.14Å; R1581-V1584 PolarHBondContact O-N 2.69Å; R1581-V1584 VanDerWaalsContact O-N 3.09Å; V1584-E1587 PolarHBondContact O-N 3.16Å; V1584-L1588 HydrophobicContact CG1-CD1 3.79Å; V1584-L1588 HydrophobicContact CG1-CG 4.31Å; V1584-L1588 WeakPolarHBondContact O-CB 3.32Å; V1584-L1588 VanDerWaalsContact O-CG 3.32Å; V1584-L1588 WeakPolarHBondContact O-CG 3.27Å; V1584-L1588 PolarHBondContact O-N 2.79Å |
| 1585 | V | 82.5 | Confident | 80.6 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 176 | 172 | 0 | 0 | 0 | 0 | 110.9 | L1557 L1573 L1580 R1581 L1588 A1589 A1598 F1601 | L1557-V1585 HydrophobicContact CD2-CG2 4.5Å; L1573-V1585 HydrophobicContact CD1-CG1 4.01Å; L1573-V1585 HydrophobicContact CD2-CB 4.22Å; L1573-V1585 HydrophobicContact CD2-CG1 3.51Å; L1573-V1585 HydrophobicContact CD2-CG2 3.64Å; L1573-V1585 HydrophobicContact CG-CG1 4.43Å; L1580-V1585 HydrophobicContact CB-CG2 3.73Å; L1580-V1585 HydrophobicContact CD1-CG2 4.39Å; R1581-V1585 PolarHBondContact O-N 3.49Å; V1585-L1588 PolarHBondContact O-N 3.01Å; V1585-A1589 WeakPolarHBondContact O-CB 3.24Å; V1585-A1589 PolarHBondContact O-N 2.98Å; V1585-A1598 HydrophobicContact CG1-CB 4.01Å; V1585-F1601 HydrophobicContact CB-CD1 4.32Å; V1585-F1601 HydrophobicContact CB-CE1 4.11Å; V1585-F1601 HydrophobicContact CG1-CD1 3.91Å; V1585-F1601 HydrophobicContact CG1-CE1 4.22Å; V1585-F1601 HydrophobicContact CG1-CG 4.41Å; V1585-F1601 HydrophobicContact CG2-CD1 4.46Å; V1585-F1601 HydrophobicContact CG2-CE1 4.03Å; V1585-F1601 HydrophobicContact CG2-CZ 4.07Å |
| 1586 | L | 81.4 | Confident | 80.6 | Confident | 85 Ų | 85 | 65 Ų | 65 | 45% | 0.445 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 177.8 | -176.4 | 68.3 | 0 | 0 | 0 | 111.5 | P1582 D1583 W1590 L1602 | P1582-L1586 VanDerWaalsContact O-CB 3.25Å; P1582-L1586 WeakPolarHBondContact O-CB 3.28Å; P1582-L1586 PolarHBondContact O-N 3.49Å; D1583-L1586 PolarHBondContact O-N 2.99Å; L1586-W1590 WeakPolarHBondContact O-CB 3.29Å; L1586-W1590 PolarHBondContact O-N 3.49Å; L1586-L1602 HydrophobicContact CB-CD2 4.4Å; L1586-L1602 HydrophobicContact CD1-CD1 3.72Å |
| 1587 | E | 81 | Confident | 80.6 | Confident | 79 Ų | 79 | 68.8 Ų | 68.8 | 37% | 0.369 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 177 | -175.8 | -170 | 179.3 | 0 | 0 | 111.4 | D1583 V1584 W1590 R1591 | D1583-E1587 WeakPolarHBondContact O-CB 3.48Å; D1583-E1587 PolarHBondContact O-N 2.85Å; V1584-E1587 PolarHBondContact O-N 3.16Å; E1587-W1590 PolarHBondContact O-N 2.88Å; E1587-R1591 WeakPolarHBondContact O-CB 3.33Å; E1587-R1591 WeakPolarHBondContact O-CG 3.08Å; E1587-R1591 PolarHBondContact O-N 2.56Å; E1587-R1591 IonicContact OE1-CZ 3.97Å; E1587-R1591 IonicContact OE1-NE 3.86Å; E1587-R1591 IonicContact OE1-NH1 3.25Å; E1587-R1591 PolarHBondContact OE1-NH1 3.21Å; E1587-R1591 VanDerWaalsContact OE1-NH1 3.15Å; E1587-R1591 IonicContact OE1-NH2 2.7Å; E1587-R1591 PolarHBondContact OE1-NH2 2.89Å |
| 1588 | L | 82.1 | Confident | 80.7 | Confident | 17 Ų | 17 | 66.6 Ų | 66.6 | 9% | 0.089 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.4 | -41.8 | -177.2 | -70.9 | 174.3 | 0 | 0 | 0 | 112 | L1557 R1558 L1561 F1569 V1584 V1585 N1592 | L1557-L1588 HydrophobicContact CD2-CD1 3.71Å; R1558-L1588 HydrophobicContact CG-CD1 3.86Å; R1558-L1588 HydrophobicContact CG-CD2 3.92Å; L1561-L1588 HydrophobicContact CD1-CB 3.86Å; L1561-L1588 HydrophobicContact CD1-CD2 4.28Å; L1561-L1588 HydrophobicContact CD1-CG 4.46Å; F1569-L1588 HydrophobicContact CE2-CB 4.41Å; V1584-L1588 HydrophobicContact CG1-CD1 3.79Å; V1584-L1588 HydrophobicContact CG1-CG 4.31Å; V1584-L1588 WeakPolarHBondContact O-CB 3.32Å; V1584-L1588 VanDerWaalsContact O-CG 3.32Å; V1584-L1588 WeakPolarHBondContact O-CG 3.27Å; V1584-L1588 PolarHBondContact O-N 2.79Å; V1585-L1588 PolarHBondContact O-N 3.01Å; L1588-N1592 PolarHBondContact O-N 3.37Å; L1588-N1592 PolarHBondContact O-ND2 2.81Å |
| 1589 | A | 82.5 | Confident | 81 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1569 V1585 G1593 L1594 A1598 | F1569-A1589 HydrophobicContact CE1-CB 4.34Å; F1569-A1589 HydrophobicContact CZ-CB 4.11Å; V1585-A1589 WeakPolarHBondContact O-CB 3.24Å; V1585-A1589 PolarHBondContact O-N 2.98Å; A1589-G1593 PolarHBondContact O-N 3.29Å; A1589-L1594 PolarHBondContact O-N 2.87Å; A1589-A1598 HydrophobicContact CB-CB 3.54Å |
| 1590 | W | 82.6 | Confident | 81.3 | Confident | 176 Ų | 176 | 68.9 Ų | 68.9 | 67% | 0.667 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.9 | -46.2 | 177.8 | 178.6 | 66.5 | 0 | 0 | 0 | 112.1 | L1586 E1587 N1592 G1593 I1595 | L1586-W1590 WeakPolarHBondContact O-CB 3.29Å; L1586-W1590 PolarHBondContact O-N 3.49Å; E1587-W1590 PolarHBondContact O-N 2.88Å; W1590-N1592 VanDerWaalsContact C-N 3.27Å; W1590-N1592 PolarHBondContact O-N 2.74Å; W1590-G1593 PolarHBondContact O-N 3.35Å; W1590-I1595 HydrophobicContact CB-CD1 4.29Å; W1590-I1595 HydrophobicContact CB-CG1 4.39Å; W1590-I1595 HydrophobicContact CG-CD1 4.41Å |
| 1591 | R | 80.8 | Confident | 81.4 | Confident | 164 Ų | 164 | 69.1 Ų | 69.1 | 62% | 0.619 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.5 | -30.6 | -179.5 | -76.7 | -175.1 | 177.9 | 176.5 | 10.5 | 113.8 | E1587 | E1587-R1591 WeakPolarHBondContact O-CB 3.33Å; E1587-R1591 WeakPolarHBondContact O-CG 3.08Å; E1587-R1591 PolarHBondContact O-N 2.56Å; E1587-R1591 IonicContact OE1-CZ 3.97Å; E1587-R1591 IonicContact OE1-NE 3.86Å; E1587-R1591 IonicContact OE1-NH1 3.25Å; E1587-R1591 PolarHBondContact OE1-NH1 3.21Å; E1587-R1591 VanDerWaalsContact OE1-NH1 3.15Å; E1587-R1591 IonicContact OE1-NH2 2.7Å; E1587-R1591 PolarHBondContact OE1-NH2 2.89Å |
| 1592 | N | 80 | Confident | 81.5 | Confident | 84 Ų | 84 | 64.9 Ų | 64.9 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 3.9 | -177.8 | -64.4 | -82 | 0 | 0 | 0 | 113.5 | L1561 L1588 W1590 L1594 | L1561-N1592 HydrophobicContact CD2-CB 4.17Å; L1588-N1592 PolarHBondContact O-N 3.37Å; L1588-N1592 PolarHBondContact O-ND2 2.81Å; W1590-N1592 VanDerWaalsContact C-N 3.27Å; W1590-N1592 PolarHBondContact O-N 2.74Å; N1592-L1594 HydrophobicContact CB-CD1 4.14Å; N1592-L1594 HydrophobicContact CB-CG 4.39Å |
| 1593 | G | 81.7 | Confident | 81.6 | Confident | 64 Ų | 64 | 67.3 Ų | 67.3 | 66% | 0.66 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 24.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | A1589 W1590 | A1589-G1593 PolarHBondContact O-N 3.29Å; W1590-G1593 PolarHBondContact O-N 3.35Å |
| 1594 | L | 80.8 | Confident | 81.6 | Confident | 35 Ų | 35 | 67 Ų | 67 | 18% | 0.183 | 34% | 0.341 | C | S | . | . | trans | -107.7 | 25.6 | -175.3 | -63 | 169.6 | 0 | 0 | 0 | 113.2 | L1561 P1566 F1569 A1589 N1592 D1596 M1597 A1598 | L1561-L1594 HydrophobicContact CD2-CD1 3.24Å; P1566-L1594 HydrophobicContact CB-CD1 4.24Å; P1566-L1594 HydrophobicContact CB-CD2 3.74Å; F1569-L1594 HydrophobicContact CD1-CD1 4.21Å; F1569-L1594 HydrophobicContact CE1-CB 4.32Å; F1569-L1594 HydrophobicContact CG-CD1 4.43Å; A1589-L1594 PolarHBondContact O-N 2.87Å; N1592-L1594 HydrophobicContact CB-CD1 4.14Å; N1592-L1594 HydrophobicContact CB-CG 4.39Å; L1594-D1596 VanDerWaalsContact C-N 3.27Å; L1594-D1596 PolarHBondContact O-N 3.32Å; L1594-M1597 PolarHBondContact O-N 2.81Å; L1594-M1597 VanDerWaalsContact O-N 3.11Å; L1594-A1598 PolarHBondContact O-N 2.71Å | ||
| 1595 | I | 81.7 | Confident | 81.6 | Confident | 62 Ų | 62 | 67.4 Ų | 67.4 | 32% | 0.318 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.5 | -40.9 | -176.4 | -65.7 | 169.6 | 0 | 0 | 0 | 111.7 | W1590 M1597 A1598 M1599 | W1590-I1595 HydrophobicContact CB-CD1 4.29Å; W1590-I1595 HydrophobicContact CB-CG1 4.39Å; W1590-I1595 HydrophobicContact CG-CD1 4.41Å; I1595-M1597 PolarHBondContact O-N 2.8Å; I1595-A1598 PolarHBondContact O-N 2.93Å; I1595-M1599 HydrophobicContact CG2-CG 4.29Å; I1595-M1599 WeakPolarHBondContact O-CG 3.26Å; I1595-M1599 PolarHBondContact O-N 3.49Å |
| 1596 | D | 78.7 | Confident | 81.6 | Confident | 144 Ų | 144 | 73.1 Ų | 73.1 | 77% | 0.77 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.4 | -35 | -179.2 | -65.5 | -25.9 | 0 | 0 | 0 | 112.3 | L1594 | L1594-D1596 VanDerWaalsContact C-N 3.27Å; L1594-D1596 PolarHBondContact O-N 3.32Å |
| 1597 | M | 77.7 | Confident | 81.7 | Confident | 79 Ų | 79 | 76.7 Ų | 76.7 | 39% | 0.389 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -76.3 | -25.7 | 176.5 | -67.5 | -155 | 163.2 | 0 | 0 | 113 | P1566 A1570 L1594 I1595 | P1566-M1597 HydrophobicContact CB-SD 4.4Å; A1570-M1597 HydrophobicContact CB-CB 4.22Å; A1570-M1597 HydrophobicContact CB-SD 3.91Å; L1594-M1597 PolarHBondContact O-N 2.81Å; L1594-M1597 VanDerWaalsContact O-N 3.11Å; I1595-M1597 PolarHBondContact O-N 2.8Å |
| 1598 | A | 81.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -87.2 | -16.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | F1569 L1573 V1585 A1589 L1594 I1595 F1601 L1602 | F1569-A1598 HydrophobicContact CE1-CB 4.48Å; L1573-A1598 HydrophobicContact CD1-CB 3.79Å; V1585-A1598 HydrophobicContact CG1-CB 4.01Å; A1589-A1598 HydrophobicContact CB-CB 3.54Å; L1594-A1598 PolarHBondContact O-N 2.71Å; I1595-A1598 PolarHBondContact O-N 2.93Å; A1598-F1601 WeakPolarHBondContact O-CB 3.38Å; A1598-F1601 PolarHBondContact O-N 3.47Å; A1598-L1602 PolarHBondContact O-N 2.75Å; A1598-L1602 VanDerWaalsContact O-N 3.13Å |
| 1599 | M | 83.3 | Confident | 81.5 | Confident | 79 Ų | 79 | 80.5 Ų | 80.5 | 39% | 0.389 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58 | -41.1 | -176.9 | -86.6 | -54.7 | -61.3 | 0 | 0 | 115.2 | I1595 F1601 L1602 I1603 | I1595-M1599 HydrophobicContact CG2-CG 4.29Å; I1595-M1599 WeakPolarHBondContact O-CG 3.26Å; I1595-M1599 PolarHBondContact O-N 3.49Å; M1599-F1601 VanDerWaalsContact C-N 3.28Å; M1599-F1601 PolarHBondContact O-N 3.06Å; M1599-L1602 PolarHBondContact O-N 3.37Å; M1599-L1602 HydrophobicContact SD-CD1 3.95Å; M1599-I1603 HydrophobicContact CE-CD1 4.01Å; M1599-I1603 HydrophobicContact CE-CG1 3.9Å; M1599-I1603 VanDerWaalsContact O-CG1 3.29Å; M1599-I1603 WeakPolarHBondContact O-CG1 3.44Å; M1599-I1603 PolarHBondContact O-N 3.22Å |
| 1600 | P | 83.2 | Confident | 81.5 | Confident | 88 Ų | 88 | 83.5 Ų | 83.5 | 57% | 0.571 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -58.2 | -40.3 | 176.1 | -26.2 | 35.6 | 0 | 0 | 0 | 113 | Q1604 | P1600-Q1604 PolarHBondContact O-N 2.81Å |
| 1601 | F | 82.8 | Confident | 81.5 | Confident | 11 Ų | 11 | 77.9 Ų | 77.9 | 5% | 0.048 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.7 | -51 | 174.5 | 172.5 | -79.1 | 0 | 0 | 0 | 110.3 | L1573 Y1577 L1580 P1582 V1585 A1598 M1599 I1603 Q1604 T1605 | L1573-F1601 HydrophobicContact CB-CB 4.47Å; L1573-F1601 HydrophobicContact CB-CD2 4.37Å; Y1577-F1601 AromaticContact CD2-CD2 3.37Å; Y1577-F1601 HydrophobicContact CD2-CD2 3.37Å; Y1577-F1601 AromaticContact CD2-CE2 3.57Å; Y1577-F1601 HydrophobicContact CD2-CE2 3.57Å; Y1577-F1601 HydrophobicContact CD2-CG 4.21Å; Y1577-F1601 AromaticContact CE2-CD2 3.87Å; Y1577-F1601 HydrophobicContact CE2-CD2 3.87Å; Y1577-F1601 AromaticContact CE2-CE2 3.99Å; Y1577-F1601 HydrophobicContact CE2-CE2 3.99Å; Y1577-F1601 HydrophobicContact CE2-CG 4.35Å; Y1577-F1601 HydrophobicContact CG-CD2 4.34Å; Y1577-F1601 HydrophobicContact CG-CE2 4.25Å; Y1577-F1601 WeakPolarHBondContact O-CE2 3.31Å; L1580-F1601 HydrophobicContact CB-CE2 4.1Å; L1580-F1601 HydrophobicContact CB-CZ 4.19Å; L1580-F1601 WeakPolarHBondContact O-CZ 3.28Å; P1582-F1601 HydrophobicContact CB-CE1 4.12Å; P1582-F1601 HydrophobicContact CG-CE1 4.22Å; P1582-F1601 HydrophobicContact CG-CZ 4.48Å; V1585-F1601 HydrophobicContact CB-CD1 4.32Å; V1585-F1601 HydrophobicContact CB-CE1 4.11Å; V1585-F1601 HydrophobicContact CG1-CD1 3.91Å; V1585-F1601 HydrophobicContact CG1-CE1 4.22Å; V1585-F1601 HydrophobicContact CG1-CG 4.41Å; V1585-F1601 HydrophobicContact CG2-CD1 4.46Å; V1585-F1601 HydrophobicContact CG2-CE1 4.03Å; V1585-F1601 HydrophobicContact CG2-CZ 4.07Å; A1598-F1601 WeakPolarHBondContact O-CB 3.38Å; A1598-F1601 PolarHBondContact O-N 3.47Å; M1599-F1601 VanDerWaalsContact C-N 3.28Å; M1599-F1601 PolarHBondContact O-N 3.06Å; F1601-I1603 VanDerWaalsContact C-N 3.34Å; F1601-I1603 PolarHBondContact O-N 2.96Å; F1601-Q1604 PolarHBondContact O-N 3.41Å; F1601-T1605 PolarHBondContact O-N 3.07Å; F1601-T1605 PolarHBondContact O-OG1 2.71Å |
| 1602 | L | 82.6 | Confident | 81.4 | Confident | 27 Ų | 27 | 76.6 Ų | 76.6 | 14% | 0.141 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.9 | -39.3 | -178 | -66.4 | 170.5 | 0 | 0 | 0 | 112.7 | L1586 A1598 M1599 T1605 L1606 | L1586-L1602 HydrophobicContact CB-CD2 4.4Å; L1586-L1602 HydrophobicContact CD1-CD1 3.72Å; A1598-L1602 PolarHBondContact O-N 2.75Å; A1598-L1602 VanDerWaalsContact O-N 3.13Å; M1599-L1602 PolarHBondContact O-N 3.37Å; M1599-L1602 HydrophobicContact SD-CD1 3.95Å; L1602-T1605 PolarHBondContact O-N 2.72Å; L1602-L1606 WeakPolarHBondContact O-CB 3.31Å; L1602-L1606 PolarHBondContact O-N 3.45Å; L1602-L1606 VanDerWaalsContact O-N 3.07Å |
| 1603 | I | 84.7 | Confident | 81.5 | Confident | 104 Ų | 104 | 76.8 Ų | 76.8 | 53% | 0.533 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 177.1 | -70 | 166.1 | 0 | 0 | 0 | 110.7 | M1599 F1601 L1606 R1607 | M1599-I1603 HydrophobicContact CE-CD1 4.01Å; M1599-I1603 HydrophobicContact CE-CG1 3.9Å; M1599-I1603 VanDerWaalsContact O-CG1 3.29Å; M1599-I1603 WeakPolarHBondContact O-CG1 3.44Å; M1599-I1603 PolarHBondContact O-N 3.22Å; F1601-I1603 VanDerWaalsContact C-N 3.34Å; F1601-I1603 PolarHBondContact O-N 2.96Å; I1603-L1606 PolarHBondContact O-N 3.34Å; I1603-R1607 PolarHBondContact O-N 3.44Å; I1603-R1607 VanDerWaalsContact O-N 3.13Å |
| 1604 | Q | 80.9 | Confident | 81.6 | Confident | 97 Ų | 97 | 77 Ų | 77 | 45% | 0.453 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | -179.4 | -171.5 | 65.4 | 12.3 | 0 | 0 | 111.3 | Y1577 P1600 F1601 L1606 R1607 E1608 | Y1577-Q1604 HydrophobicContact CE1-CG 4.37Å; Y1577-Q1604 HydrophobicContact CE2-CB 3.81Å; Y1577-Q1604 HydrophobicContact CE2-CG 3.85Å; Y1577-Q1604 VanDerWaalsContact OH-C 3.26Å; Y1577-Q1604 WeakPolarHBondContact OH-CG 3.13Å; P1600-Q1604 PolarHBondContact O-N 2.81Å; F1601-Q1604 PolarHBondContact O-N 3.41Å; Q1604-L1606 VanDerWaalsContact C-N 3.31Å; Q1604-L1606 PolarHBondContact O-N 3.25Å; Q1604-R1607 WeakPolarHBondContact O-CB 3.1Å; Q1604-R1607 PolarHBondContact O-N 3.02Å; Q1604-R1607 VanDerWaalsContact O-N 3.14Å; Q1604-E1608 PolarHBondContact O-N 3.32Å |
| 1605 | T | 81.9 | Confident | 81.5 | Confident | 19 Ų | 19 | 84.4 Ų | 84.4 | 12% | 0.117 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 177.8 | -44.3 | 0 | 0 | 0 | 0 | 111.8 | Y1577 P1582 F1601 L1602 R1607 E1608 L1609 | Y1577-T1605 WeakPolarHBondContact OH-CA 3.49Å; Y1577-T1605 PolarHBondContact OH-N 3.4Å; Y1577-T1605 VanDerWaalsContact OH-N 3.09Å; Y1577-T1605 PolarHBondContact OH-OG1 3.2Å; P1582-T1605 HydrophobicContact CB-CG2 4.25Å; P1582-T1605 HydrophobicContact CG-CG2 3.39Å; F1601-T1605 PolarHBondContact O-N 3.07Å; F1601-T1605 PolarHBondContact O-OG1 2.71Å; L1602-T1605 PolarHBondContact O-N 2.72Å; T1605-R1607 VanDerWaalsContact C-N 3.32Å; T1605-R1607 PolarHBondContact O-N 3.35Å; T1605-E1608 PolarHBondContact O-N 3.11Å; T1605-L1609 HydrophobicContact CG2-CD1 4.22Å; T1605-L1609 WeakPolarHBondContact O-CB 3.46Å; T1605-L1609 WeakPolarHBondContact O-CG 3.34Å; T1605-L1609 PolarHBondContact O-N 3.27Å |
| 1606 | L | 82.4 | Confident | 81.3 | Confident | 120 Ų | 120 | 87 Ų | 87 | 63% | 0.628 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.5 | -40.7 | 174.9 | -120.5 | 123.7 | 0 | 0 | 0 | 111.9 | L1602 I1603 Q1604 T1610 | L1602-L1606 WeakPolarHBondContact O-CB 3.31Å; L1602-L1606 PolarHBondContact O-N 3.45Å; L1602-L1606 VanDerWaalsContact O-N 3.07Å; I1603-L1606 PolarHBondContact O-N 3.34Å; Q1604-L1606 VanDerWaalsContact C-N 3.31Å; Q1604-L1606 PolarHBondContact O-N 3.25Å; L1606-T1610 WeakPolarHBondContact O-CB 3.48Å; L1606-T1610 PolarHBondContact O-N 2.93Å; L1606-T1610 PolarHBondContact O-OG1 3.5Å |
| 1607 | R | 81.9 | Confident | 81.5 | Confident | 160 Ų | 160 | 85.5 Ų | 85.5 | 60% | 0.604 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.3 | -42.9 | 177.6 | -179.3 | 59.1 | 176 | -178.4 | 1 | 112 | I1603 Q1604 T1605 T1610 T1611 | I1603-R1607 PolarHBondContact O-N 3.44Å; I1603-R1607 VanDerWaalsContact O-N 3.13Å; Q1604-R1607 WeakPolarHBondContact O-CB 3.1Å; Q1604-R1607 PolarHBondContact O-N 3.02Å; Q1604-R1607 VanDerWaalsContact O-N 3.14Å; T1605-R1607 VanDerWaalsContact C-N 3.32Å; T1605-R1607 PolarHBondContact O-N 3.35Å; R1607-T1610 PolarHBondContact O-N 3.24Å; R1607-T1611 PolarHBondContact O-N 3.25Å; R1607-T1611 PolarHBondContact O-OG1 3.15Å |
| 1608 | E | 80.6 | Confident | 81.6 | Confident | 74 Ų | 74 | 90 Ų | 90 | 35% | 0.346 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.3 | -42.2 | 177.7 | -74.6 | -178.1 | 162.5 | 0 | 0 | 112.5 | Y1577 Q1604 T1605 T1610 T1611 K1612 | Y1577-E1608 WeakPolarHBondContact CE1-OE2 3.27Å; Y1577-E1608 VanDerWaalsContact OH-CD 3.24Å; Y1577-E1608 PolarHBondContact OH-OE2 3.17Å; Q1604-E1608 PolarHBondContact O-N 3.32Å; T1605-E1608 PolarHBondContact O-N 3.11Å; E1608-T1610 VanDerWaalsContact C-N 3.33Å; E1608-T1610 PolarHBondContact O-N 3.01Å; E1608-T1611 PolarHBondContact O-N 3.28Å; E1608-K1612 WeakPolarHBondContact O-CB 3.34Å; E1608-K1612 WeakPolarHBondContact O-CG 3.06Å; E1608-K1612 PolarHBondContact O-N 3.01Å |
| 1609 | L | 80 | Confident | 81.4 | Confident | 102 Ų | 102 | 93.1 Ų | 93.1 | 53% | 0.534 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 173.9 | -75.9 | 169.4 | 0 | 0 | 0 | 110.8 | T1605 T1611 K1612 V1613 | T1605-L1609 HydrophobicContact CG2-CD1 4.22Å; T1605-L1609 WeakPolarHBondContact O-CB 3.46Å; T1605-L1609 WeakPolarHBondContact O-CG 3.34Å; T1605-L1609 PolarHBondContact O-N 3.27Å; L1609-T1611 VanDerWaalsContact C-N 3.34Å; L1609-T1611 PolarHBondContact O-N 2.63Å; L1609-K1612 PolarHBondContact O-N 3.39Å; L1609-V1613 VanDerWaalsContact O-CG2 3.26Å; L1609-V1613 WeakPolarHBondContact O-CG2 3.43Å; L1609-V1613 PolarHBondContact O-N 3.05Å |
| 1610 | T | 82.4 | Confident | 81.2 | Confident | 64 Ų | 64 | 93.8 Ų | 93.8 | 39% | 0.393 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 176.4 | -49.9 | 0 | 0 | 0 | 0 | 111.2 | L1606 R1607 E1608 K1612 V1613 D1614 | L1606-T1610 WeakPolarHBondContact O-CB 3.48Å; L1606-T1610 PolarHBondContact O-N 2.93Å; L1606-T1610 PolarHBondContact O-OG1 3.5Å; R1607-T1610 PolarHBondContact O-N 3.24Å; E1608-T1610 VanDerWaalsContact C-N 3.33Å; E1608-T1610 PolarHBondContact O-N 3.01Å; T1610-K1612 PolarHBondContact O-N 3.46Å; T1610-V1613 PolarHBondContact O-N 2.77Å; T1610-D1614 VanDerWaalsContact O-CG 3.28Å; T1610-D1614 PolarHBondContact O-N 3.39Å |
| 1611 | T | 81.7 | Confident | 81 | Confident | 59 Ų | 59 | 95.4 Ų | 95.4 | 36% | 0.362 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.2 | -35.5 | -177.9 | -47.3 | 0 | 0 | 0 | 0 | 112.7 | R1607 E1608 L1609 R1615 | R1607-T1611 PolarHBondContact O-N 3.25Å; R1607-T1611 PolarHBondContact O-OG1 3.15Å; E1608-T1611 PolarHBondContact O-N 3.28Å; L1609-T1611 VanDerWaalsContact C-N 3.34Å; L1609-T1611 PolarHBondContact O-N 2.63Å; T1611-R1615 PolarHBondContact O-N 2.68Å; T1611-R1615 VanDerWaalsContact O-N 3.09Å |
| 1612 | K | 79.2 | Confident | 80.7 | Confident | 137 Ų | 137 | 98.7 Ų | 98.7 | 60% | 0.596 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.6 | -41.3 | 174.3 | -78.2 | 177.3 | 179.8 | 171.2 | 0 | 111.2 | E1608 L1609 T1610 R1615 L1616 | E1608-K1612 WeakPolarHBondContact O-CB 3.34Å; E1608-K1612 WeakPolarHBondContact O-CG 3.06Å; E1608-K1612 PolarHBondContact O-N 3.01Å; L1609-K1612 PolarHBondContact O-N 3.39Å; T1610-K1612 PolarHBondContact O-N 3.46Å; K1612-R1615 PolarHBondContact O-N 2.73Å; K1612-L1616 WeakPolarHBondContact O-CG 3.18Å; K1612-L1616 PolarHBondContact O-N 3.16Å |
| 1613 | V | 80.8 | Confident | 80.2 | Confident | 87 Ų | 87 | 103.7 Ų | 103.7 | 53% | 0.527 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 175.2 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | L1609 T1610 R1615 L1616 E1617 | L1609-V1613 VanDerWaalsContact O-CG2 3.26Å; L1609-V1613 WeakPolarHBondContact O-CG2 3.43Å; L1609-V1613 PolarHBondContact O-N 3.05Å; T1610-V1613 PolarHBondContact O-N 2.77Å; V1613-R1615 VanDerWaalsContact C-N 3.31Å; V1613-R1615 PolarHBondContact O-N 3.36Å; V1613-L1616 PolarHBondContact O-N 2.98Å; V1613-L1616 VanDerWaalsContact O-N 3.14Å; V1613-E1617 PolarHBondContact O-N 3.44Å |
| 1614 | D | 85 | Confident | 79.7 | Confident | 68 Ų | 68 | 101.2 Ų | 101.2 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 176.7 | -67.7 | -17 | 0 | 0 | 0 | 112.6 | T1610 R1618 | T1610-D1614 VanDerWaalsContact O-CG 3.28Å; T1610-D1614 PolarHBondContact O-N 3.39Å; D1614-R1618 WeakPolarHBondContact O-CG 3.24Å; D1614-R1618 PolarHBondContact O-N 3.3Å; D1614-R1618 VanDerWaalsContact O-N 3.16Å |
| 1615 | R | 79.4 | Confident | 79.4 | Confident | 192 Ų | 192 | 99 Ų | 99 | 73% | 0.725 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.9 | -42.3 | 175.9 | -91.1 | -173.2 | 178.9 | 170.9 | 1.2 | 112.3 | T1611 K1612 V1613 R1618 S1619 | T1611-R1615 PolarHBondContact O-N 2.68Å; T1611-R1615 VanDerWaalsContact O-N 3.09Å; K1612-R1615 PolarHBondContact O-N 2.73Å; V1613-R1615 VanDerWaalsContact C-N 3.31Å; V1613-R1615 PolarHBondContact O-N 3.36Å; R1615-R1618 PolarHBondContact O-N 2.83Å; R1615-S1619 PolarHBondContact O-N 3.21Å |
| 1616 | L | 77.1 | Confident | 78.8 | Confident | 115 Ų | 115 | 104.3 Ų | 104.3 | 60% | 0.602 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.4 | -44.9 | 178.6 | -78.8 | 164.6 | 0 | 0 | 0 | 110.9 | K1612 V1613 R1618 S1619 E1620 | K1612-L1616 WeakPolarHBondContact O-CG 3.18Å; K1612-L1616 PolarHBondContact O-N 3.16Å; V1613-L1616 PolarHBondContact O-N 2.98Å; V1613-L1616 VanDerWaalsContact O-N 3.14Å; L1616-R1618 PolarHBondContact O-N 3.26Å; L1616-S1619 PolarHBondContact O-N 2.94Å; L1616-S1619 VanDerWaalsContact O-N 3.13Å; L1616-S1619 PolarHBondContact O-OG 2.8Å; L1616-E1620 PolarHBondContact O-N 3.47Å |
| 1617 | E | 81.7 | Confident | 78 | Confident | 114 Ų | 114 | 104.4 Ų | 104.4 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 177.7 | -168.4 | 176.9 | -170.3 | 0 | 0 | 111.9 | V1613 S1619 E1620 Q1621 | V1613-E1617 PolarHBondContact O-N 3.44Å; E1617-S1619 PolarHBondContact O-N 2.91Å; E1617-E1620 PolarHBondContact O-N 2.75Å; E1617-Q1621 WeakPolarHBondContact O-CG 3.15Å; E1617-Q1621 PolarHBondContact O-N 3Å; E1617-Q1621 VanDerWaalsContact O-N 3.08Å |
| 1618 | R | 80.9 | Confident | 77.2 | Confident | 172 Ų | 172 | 103.3 Ų | 103.3 | 65% | 0.649 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.8 | -40.4 | 173.8 | -73.5 | 179.1 | -171.1 | 167 | 5.5 | 112.8 | D1614 R1615 L1616 E1620 Q1621 T1622 | D1614-R1618 WeakPolarHBondContact O-CG 3.24Å; D1614-R1618 PolarHBondContact O-N 3.3Å; D1614-R1618 VanDerWaalsContact O-N 3.16Å; R1615-R1618 PolarHBondContact O-N 2.83Å; L1616-R1618 PolarHBondContact O-N 3.26Å; R1618-E1620 VanDerWaalsContact C-N 3.34Å; R1618-E1620 PolarHBondContact O-N 3.11Å; R1618-Q1621 PolarHBondContact O-N 3.4Å; R1618-T1622 PolarHBondContact O-N 3.37Å; R1618-T1622 PolarHBondContact O-OG1 2.87Å |
| 1619 | S | 76.8 | Confident | 76.4 | Confident | 66 Ų | 66 | 107.5 Ų | 107.5 | 46% | 0.462 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | -179.8 | 85.2 | 0 | 0 | 0 | 0 | 112 | R1615 L1616 E1617 T1622 R1623 | R1615-S1619 PolarHBondContact O-N 3.21Å; L1616-S1619 PolarHBondContact O-N 2.94Å; L1616-S1619 VanDerWaalsContact O-N 3.13Å; L1616-S1619 PolarHBondContact O-OG 2.8Å; E1617-S1619 PolarHBondContact O-N 2.91Å; S1619-T1622 PolarHBondContact O-N 3.22Å; S1619-R1623 PolarHBondContact O-N 3.33Å |
| 1620 | E | 78.6 | Confident | 75.2 | Confident | 93 Ų | 93 | 105.5 Ų | 105.5 | 44% | 0.435 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.5 | -44.5 | 175.3 | -93.8 | -69.9 | 149.7 | 0 | 0 | 111.7 | L1616 E1617 R1618 T1622 R1623 A1624 | L1616-E1620 PolarHBondContact O-N 3.47Å; E1617-E1620 PolarHBondContact O-N 2.75Å; R1618-E1620 VanDerWaalsContact C-N 3.34Å; R1618-E1620 PolarHBondContact O-N 3.11Å; E1620-T1622 PolarHBondContact O-N 2.84Å; E1620-R1623 PolarHBondContact O-N 2.78Å; E1620-R1623 IonicContact OE1-CZ 3.02Å; E1620-R1623 IonicContact OE1-NH1 3.13Å; E1620-R1623 PolarHBondContact OE1-NH1 2.78Å; E1620-R1623 IonicContact OE1-NH2 3Å; E1620-R1623 PolarHBondContact OE1-NH2 3.49Å; E1620-R1623 IonicContact OE2-NH2 3.01Å; E1620-A1624 PolarHBondContact O-N 2.84Å |
| 1621 | Q | 80.6 | Confident | 73.7 | Confident | 122 Ų | 122 | 110.1 Ų | 110.1 | 57% | 0.57 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58.5 | -38.1 | 174.5 | -73.5 | 178 | 2.6 | 0 | 0 | 112.5 | E1617 R1618 A1625 | E1617-Q1621 WeakPolarHBondContact O-CG 3.15Å; E1617-Q1621 PolarHBondContact O-N 3Å; E1617-Q1621 VanDerWaalsContact O-N 3.08Å; R1618-Q1621 PolarHBondContact O-N 3.4Å; Q1621-A1625 PolarHBondContact O-N 3.33Å |
| 1622 | T | 76 | Confident | 72.2 | Confident | 81 Ų | 81 | 115.2 Ų | 115.2 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.4 | -42.3 | 178.6 | -42.2 | 0 | 0 | 0 | 0 | 110.8 | R1618 S1619 E1620 A1625 E1626 | R1618-T1622 PolarHBondContact O-N 3.37Å; R1618-T1622 PolarHBondContact O-OG1 2.87Å; S1619-T1622 PolarHBondContact O-N 3.22Å; E1620-T1622 PolarHBondContact O-N 2.84Å; T1622-A1625 PolarHBondContact O-N 3.45Å; T1622-E1626 PolarHBondContact O-N 3.01Å |
| 1623 | R | 71.2 | Confident | 70.8 | Confident | 132 Ų | 132 | 112.6 Ų | 112.6 | 50% | 0.498 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.2 | -41.7 | 178 | -151.7 | 179.9 | 78.6 | -136.7 | -12 | 112 | S1619 E1620 A1625 E1626 E1627 | S1619-R1623 PolarHBondContact O-N 3.33Å; E1620-R1623 PolarHBondContact O-N 2.78Å; E1620-R1623 IonicContact OE1-CZ 3.02Å; E1620-R1623 IonicContact OE1-NH1 3.13Å; E1620-R1623 PolarHBondContact OE1-NH1 2.78Å; E1620-R1623 IonicContact OE1-NH2 3Å; E1620-R1623 PolarHBondContact OE1-NH2 3.49Å; E1620-R1623 IonicContact OE2-NH2 3.01Å; R1623-A1625 PolarHBondContact O-N 3.24Å; R1623-E1626 PolarHBondContact O-N 2.86Å; R1623-E1627 PolarHBondContact O-N 3.15Å |
| 1624 | A | 74.8 | Confident | 68.9 | Low | 52 Ų | 52 | 113.6 Ų | 113.6 | 43% | 0.43 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.6 | -38.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1620 E1626 E1627 E1628 | E1620-A1624 PolarHBondContact O-N 2.84Å; A1624-E1626 VanDerWaalsContact C-N 3.34Å; A1624-E1626 PolarHBondContact O-N 2.8Å; A1624-E1627 PolarHBondContact O-N 3.44Å; A1624-E1628 PolarHBondContact O-N 2.85Å |
| 1625 | A | 74.2 | Confident | 66.4 | Low | 49 Ų | 49 | 118 Ų | 118 | 41% | 0.405 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.7 | -27.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1621 T1622 R1623 | Q1621-A1625 PolarHBondContact O-N 3.33Å; T1622-A1625 PolarHBondContact O-N 3.45Å; R1623-A1625 PolarHBondContact O-N 3.24Å |
| 1626 | E | 68.9 | Low | 64.3 | Low | 132 Ų | 132 | 114.1 Ų | 114.1 | 62% | 0.617 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.3 | -36.6 | 174.3 | -73.6 | -179.5 | 167.3 | 0 | 0 | 111.9 | T1622 R1623 A1624 K1629 A1630 | T1622-E1626 PolarHBondContact O-N 3.01Å; R1623-E1626 PolarHBondContact O-N 2.86Å; A1624-E1626 VanDerWaalsContact C-N 3.34Å; A1624-E1626 PolarHBondContact O-N 2.8Å; E1626-K1629 PolarHBondContact O-N 2.93Å; E1626-A1630 PolarHBondContact O-N 3.46Å |
| 1627 | E | 66 | Low | 61.9 | Low | 122 Ų | 122 | 116.8 Ų | 116.8 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.6 | -43.1 | 175.2 | -76.3 | 177.7 | 170 | 0 | 0 | 112.2 | R1623 A1624 K1629 A1630 E1631 | R1623-E1627 PolarHBondContact O-N 3.15Å; A1624-E1627 PolarHBondContact O-N 3.44Å; E1627-K1629 VanDerWaalsContact C-N 3.29Å; E1627-K1629 PolarHBondContact O-N 3.13Å; E1627-A1630 WeakPolarHBondContact O-CB 3.34Å; E1627-A1630 PolarHBondContact O-N 3.09Å; E1627-A1630 VanDerWaalsContact O-N 3.12Å; E1627-E1631 PolarHBondContact O-N 3.17Å |
| 1628 | E | 65 | Low | 59.3 | Low | 137 Ų | 137 | 117.7 Ų | 117.7 | 64% | 0.64 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.7 | -33.9 | 179.1 | -128.9 | -175.9 | -175.9 | 0 | 0 | 112.7 | A1624 | A1624-E1628 PolarHBondContact O-N 2.85Å |
| 1629 | K | 63.4 | Low | 56.7 | Low | 161 Ų | 161 | 117.1 Ų | 117.1 | 70% | 0.7 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.6 | -31.2 | 175.3 | -77.8 | 179.4 | 179.1 | 173 | 0 | 112.7 | E1626 E1627 | E1626-K1629 PolarHBondContact O-N 2.93Å; E1627-K1629 VanDerWaalsContact C-N 3.29Å; E1627-K1629 PolarHBondContact O-N 3.13Å |
| 1630 | A | 55.1 | Low | 54.2 | Low | 61 Ų | 61 | 124 Ų | 124 | 50% | 0.504 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -70.8 | -36.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1626 E1627 A1633 | E1626-A1630 PolarHBondContact O-N 3.46Å; E1627-A1630 WeakPolarHBondContact O-CB 3.34Å; E1627-A1630 PolarHBondContact O-N 3.09Å; E1627-A1630 VanDerWaalsContact O-N 3.12Å; A1630-A1633 PolarHBondContact O-N 3.45Å |
| 1631 | E | 50.9 | Low | 51.6 | Low | 161 Ų | 161 | 125.7 Ų | 125.7 | 75% | 0.752 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69 | -32.5 | 179.5 | -73.5 | -167.8 | 153.6 | 0 | 0 | 113.7 | E1627 A1633 | E1627-E1631 PolarHBondContact O-N 3.17Å; E1631-A1633 VanDerWaalsContact C-N 3.31Å; E1631-A1633 PolarHBondContact O-N 3.45Å |
| 1632 | Q | 51.5 | Low | 48.9 | Very low | 165 Ų | 165 | 129.2 Ų | 129.2 | 77% | 0.771 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -73.9 | -18.8 | -179.4 | -70.2 | -178 | 9 | 0 | 0 | 114 | ||
| 1633 | A | 49.7 | Very low | 47.1 | Very low | 83 Ų | 83 | 131 Ų | 131 | 69% | 0.686 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -6.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1630 E1631 | A1630-A1633 PolarHBondContact O-N 3.45Å; E1631-A1633 VanDerWaalsContact C-N 3.31Å; E1631-A1633 PolarHBondContact O-N 3.45Å |
| 1634 | V | 39.9 | Very low | 44.9 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 66% | 0.655 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -110.5 | 0.7 | -165.3 | -177.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1635 | N | 33.3 | Very low | 42.4 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | trans | -124.7 | 95.2 | -176.6 | -82.6 | -32.5 | 0 | 0 | 0 | 116.7 | ||||
| 1636 | P | 35 | Very low | 40 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | -113.2 | 120.7 | 160 | 19.9 | -0.1 | 0 | 0 | 0 | 113.9 | ||||
| 1637 | L | 27.7 | Very low | 38.6 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 62.9 | 123.2 | 160.7 | -67.6 | 149.3 | 0 | 0 | 0 | 117.2 | ||
| 1638 | V | 26.8 | Very low | 37.5 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | cis | -152.4 | 142.9 | 34.3 | 169.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 1639 | M | 26.2 | Very low | 35.8 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | trans | -57.8 | 142.5 | 170.6 | -91.9 | -105.7 | -145.2 | 0 | 0 | 114.8 | ||||
| 1640 | R | 23.8 | Very low | 35 | Very low | 211 Ų | 211 | 143 Ų | 143 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | 80.6 | 101.2 | 153.2 | -71.8 | -178.2 | 177.1 | -173.8 | -1.6 | 119.1 | ||||
| 1641 | T | 24.8 | Very low | 33.6 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | 64.1 | 95.4 | 129.5 | 54 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1642 | E | 22.1 | Very low | 32.5 | Very low | 196 Ų | 196 | 140.8 Ų | 140.8 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -139.5 | 151.6 | 135.3 | -84.1 | -166.5 | 163.5 | 0 | 0 | 110.5 | ||||
| 1643 | P | 39.8 | Very low | 31.2 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | -96 | 139 | -156.5 | 33.8 | -26.7 | 0 | 0 | 0 | 115 | ||||
| 1644 | Q | 24.6 | Very low | 30.8 | Very low | 199 Ų | 199 | 142.8 Ų | 142.8 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | trans | 19.1 | 108 | 151.8 | -75.9 | 175.2 | -16.5 | 0 | 0 | 119.1 | ||||
| 1645 | L | 22.3 | Very low | 30.7 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 97% | 0.969 | 82% | 0.823 | S | S | * | * | trans | -90 | 132.8 | 157.6 | -104 | 132.8 | 0 | 0 | 0 | 110.3 | ||||
| 1646 | M | 24.3 | Very low | 30.3 | Very low | 179 Ų | 179 | 140 Ų | 140 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -118.6 | 132 | 177.1 | -124.1 | -157.2 | -175.7 | 0 | 0 | 110.7 | ||||
| 1647 | L | 39.1 | Very low | 29.8 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | 169.3 | 155.5 | 144.1 | -91 | 157.8 | 0 | 0 | 0 | 105.6 | ||||
| 1648 | P | 41.7 | Very low | 29.7 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | cis | -155.8 | 152.6 | 37.9 | 38.2 | -14.5 | 0 | 0 | 0 | 120.2 | ||||
| 1649 | G | 30.6 | Very low | 30.2 | Very low | 61 Ų | 61 | 139.8 Ų | 139.8 | 63% | 0.629 | 82% | 0.815 | S | S | * | * | trans | -169.2 | 153.1 | 144.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1650 | P | 45.4 | Very low | 31.3 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | cis | -113.8 | 178.5 | -15.1 | 40.8 | -26.7 | 0 | 0 | 0 | 114.5 | ||||
| 1651 | A | 26.6 | Very low | 32.7 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | trans | 56.2 | 131.3 | 143.3 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1652 | G | 26.4 | Very low | 32.7 | Very low | 70 Ų | 70 | 132.9 Ų | 132.9 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | 141.6 | 90.7 | 145.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1653 | S | 24.7 | Very low | 33.2 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 20.4 | 123.7 | 145.6 | 56.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1654 | M | 42.5 | Very low | 32.8 | Very low | 175 Ų | 175 | 126.5 Ų | 126.5 | 86% | 0.862 | 81% | 0.808 | S | S | * | * | trans | 53.4 | 137.1 | 145.3 | -62.4 | -75.2 | -82.1 | 0 | 0 | 119.2 | ||||
| 1655 | P | 37.5 | Very low | 34 | Very low | 124 Ų | 124 | 122.3 Ų | 122.3 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | -157 | 143.3 | 94.4 | 36.4 | -15.1 | 0 | 0 | 0 | 118.4 | |||||
| 1656 | A | 24.9 | Very low | 34.5 | Very low | 85 Ų | 85 | 121.6 Ų | 121.6 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | trans | 35.4 | 119.8 | 130.6 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 1657 | A | 24.3 | Very low | 34.7 | Very low | 86 Ų | 86 | 116.8 Ų | 116.8 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | 96.3 | 133.2 | 114.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1658 | L | 24.9 | Very low | 34.1 | Very low | 171 Ų | 171 | 116.5 Ų | 116.5 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | 100.6 | 112.5 | 141.6 | -71.9 | 146.3 | 0 | 0 | 0 | 121.1 | ||||
| 1659 | I | 38 | Very low | 33.5 | Very low | 153 Ų | 153 | 119.1 Ų | 119.1 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -56.1 | 155.2 | 160.5 | -53.4 | 156.7 | 0 | 0 | 0 | 109.7 | ||||
| 1660 | P | 49.4 | Very low | 33.4 | Very low | 112 Ų | 112 | 119.5 Ų | 119.5 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | -157.9 | -158.5 | 55 | 40.5 | -14.4 | 0 | 0 | 0 | 116.5 | |||||
| 1661 | P | 51.9 | Low | 32.5 | Very low | 102 Ų | 102 | 120.3 Ų | 120.3 | 66% | 0.662 | 79% | 0.79 | S | S | * | * | -131.2 | 167.1 | -53.1 | 34.3 | -16 | 0 | 0 | 0 | 115.6 | |||||
| 1662 | T | 26.2 | Very low | 32.4 | Very low | 141 Ų | 141 | 122.3 Ų | 122.3 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | 49.8 | 119.6 | 144 | 59.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1663 | G | 31.1 | Very low | 32.4 | Very low | 82 Ų | 82 | 122.1 Ų | 122.1 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | 165 | 105 | 154.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1664 | A | 32.2 | Very low | 33.1 | Very low | 97 Ų | 97 | 123 Ų | 123 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -85.2 | -176.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1665 | P | 49.8 | Very low | 32.3 | Very low | 111 Ų | 111 | 122.8 Ų | 122.8 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | cis | -138 | 157.5 | -34.1 | 24 | -1.2 | 0 | 0 | 0 | 116.2 | ||||
| 1666 | I | 33.4 | Very low | 31.7 | Very low | 170 Ų | 170 | 125.7 Ų | 125.7 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | 51.3 | 123.5 | 144.4 | -53.8 | 170.8 | 0 | 0 | 0 | 122 | ||||
| 1667 | G | 28.3 | Very low | 32 | Very low | 78 Ų | 78 | 131.6 Ų | 131.6 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -171.7 | 110.7 | 146.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1668 | M | 26 | Very low | 32 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -141.3 | 151.4 | -162.3 | -119.4 | -78 | -159.3 | 0 | 0 | 111.3 | ||||
| 1669 | F | 29.6 | Very low | 31.9 | Very low | 186 Ų | 186 | 138.5 Ų | 138.5 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | trans | 74.8 | 135.4 | 165.9 | -58 | -73 | 0 | 0 | 0 | 119.8 | ||||
| 1670 | G | 27.6 | Very low | 31.5 | Very low | 69 Ų | 69 | 137.7 Ų | 137.7 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | cis | 155.7 | 97.1 | 0.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1671 | V | 27.2 | Very low | 30.5 | Very low | 144 Ų | 144 | 140 Ų | 140 | 87% | 0.873 | 81% | 0.814 | S | S | * | * | trans | 16.1 | 119.6 | 151 | -169.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1672 | T | 24.6 | Very low | 29.4 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | trans | -125.6 | 124.8 | 148.5 | 48.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1673 | G | 27.4 | Very low | 29.6 | Very low | 66 Ų | 66 | 137.8 Ų | 137.8 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | trans | -125 | 149.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1674 | P | 38.5 | Very low | 29.2 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -99 | 145.9 | -167 | 31.9 | -20.3 | 0 | 0 | 0 | 113.5 | ||||
| 1675 | Q | 25.7 | Very low | 29.1 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 80% | 0.799 | 83% | 0.831 | S | S | * | * | trans | -109.9 | 120.4 | 171.7 | -80.2 | -174.4 | -24.4 | 0 | 0 | 111.5 | ||||
| 1676 | M | 24.9 | Very low | 28 | Very low | 184 Ų | 184 | 149.5 Ų | 149.5 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | trans | -60.9 | 126 | 168.8 | -81.6 | -88 | -143.5 | 0 | 0 | 111.5 | ||||
| 1677 | Y | 29.9 | Very low | 27.8 | Very low | 210 Ų | 210 | 148.4 Ų | 148.4 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | trans | -106.2 | 121.5 | 168.5 | -91.9 | -91.1 | 0 | 0 | 0 | 110.2 | ||||
| 1678 | Y | 25.5 | Very low | 27.7 | Very low | 216 Ų | 216 | 152.3 Ų | 152.3 | 85% | 0.847 | 84% | 0.836 | S | S | * | * | trans | -69.9 | 138.6 | 175.2 | -93.1 | -97.1 | 0 | 0 | 0 | 112 | ||||
| 1679 | Q | 23.1 | Very low | 27.8 | Very low | 185 Ų | 185 | 152.5 Ų | 152.5 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | trans | -62.8 | 130.2 | 168.1 | -82.8 | 173 | -27.1 | 0 | 0 | 111.7 | ||||
| 1680 | T | 28.2 | Very low | 27.7 | Very low | 137 Ų | 137 | 150.4 Ų | 150.4 | 84% | 0.84 | 84% | 0.844 | S | S | * | * | trans | -113.8 | 112.3 | 164 | 42.5 | 0 | 0 | 0 | 0 | 109.1 | G1682 | T1680-G1682 PolarHBondContact O-N 3.19Š| ||
| 1681 | N | 29.9 | Very low | 27.7 | Very low | 160 Ų | 160 | 155.9 Ų | 155.9 | 86% | 0.856 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 128.3 | 175.1 | -80.1 | -31.7 | 0 | 0 | 0 | 110.9 | ||
| 1682 | G | 27.7 | Very low | 27.8 | Very low | 68 Ų | 68 | 156.7 Ų | 156.7 | 70% | 0.701 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 143.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T1680 | T1680-G1682 PolarHBondContact O-N 3.19Š|
| 1683 | P | 31.3 | Very low | 28 | Very low | 129 Ų | 129 | 157.3 Ų | 157.3 | 84% | 0.838 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 133 | 177.3 | 32.4 | -30.7 | 0 | 0 | 0 | 110 | F1685 | P1683-F1685 PolarHBondContact O-N 2.92Š|
| 1684 | S | 23.2 | Very low | 28.1 | Very low | 111 Ų | 111 | 164.9 Ų | 164.9 | 78% | 0.776 | 86% | 0.86 | S | S | * | * | trans | -69 | 107.1 | 165.3 | 55.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1685 | F | 29.1 | Very low | 27.1 | Very low | 275 Ų | 275 | 167.8 Ų | 167.8 | 100% | 1.206 | 86% | 0.86 | S | S | * | * | -178.8 | 0 | 119.3 | -108.8 | -76.8 | 0 | 0 | 0 | 108.8 | P1683 | P1683-F1685 PolarHBondContact O-N 2.92Š|
Retrieved 1,685 of 1,685 residues in 2541.1 ms
(Link to these results)